[AMINO (4-{(3AS,4R,8AS,8BR)-1,3-DIOXO-2- [3-(TRIMETHYLAMMONIO) PROPYL]DECAHYDROPYRROLO[3,4-A] PYRROLIZIN-4-YL}PHENYL) METHYLENE]AMMONIUM (CHEBI:40320)

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CHEBI:40320 - [AMINO (4-{(3AS,4R,8AS,8BR)-1,3-DIOXO-2- [3-(TRIMETHYLAMMONIO) PROPYL]DECAHYDROPYRROLO[3,4-A] PYRROLIZIN-4-YL}PHENYL) METHYLENE]AMMONIUM

Default Structure

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ChEBI ID	CHEBI:40320
ChEBI Name	[AMINO (4-{(3AS,4R,8AS,8BR)-1,3-DIOXO-2- [3-(TRIMETHYLAMMONIO) PROPYL]DECAHYDROPYRROLO[3,4-A] PYRROLIZIN-4-YL}PHENYL) METHYLENE]AMMONIUM
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Last Modified	16 May 2008
Downloads	Molfile

Formula	C22H32N5O2
Net Charge	+1
Average Mass	398.531
Monoisotopic Mass	398.25505
SMILES	[H]/N=C(/c1c([H])c([H])c([C@]2([H])N3C([H])([H])C([H])([H])C([H])([H])[C@@]3([H])[C@]3([H])C(=O)N(C([H])([H])C([H])([H])C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C(=O)[C@@]32[H])c([H])c1[H])N([H])[H]
InChI	InChI=1S/C22H32N5O2/c1-27(2,3)13-5-12-26-21(28)17-16-6-4-11-25(16)19(18(17)22(26)29)14-7-9-15(10-8-14)20(23)24/h7-10,16-19H,4-6,11-13H2,1-3H3,(H3,23,24)/q+1/t16-,17-,18-,19-/m0/s1
InChIKey	JCLUABDCGDTVPA-VJANTYMQSA-N

ChEBI Ontology

Outgoing Relation(s)
	[AMINO (4-{(3AS,4R,8AS,8BR)-1,3-DIOXO-2- [3-(TRIMETHYLAMMONIO) PROPYL]DECAHYDROPYRROLO[3,4-A] PYRROLIZIN-4-YL}PHENYL) METHYLENE]AMMONIUM (CHEBI:40320) is a unclassifieds (CHEBI:27189)

Synonyms	Source
3-[(3aS,4R,8aS,8bR)-4-(4-carbamimidoylphenyl)-1,3-dioxooctahydropyrrolo[3,4-a]pyrrolizin-2(3H)-yl]-N,N,N-trimethylpropan-1-aminium	PDBeChem
[AMINO (4-{(3AS,4R,8AS,8BR)-1,3-DIOXO-2- [3-(TRIMETHYLAMMONIO) PROPYL]DECAHYDROPYRROLO[3,4-A] PYRROLIZIN-4-YL}PHENYL) METHYLENE]AMMONIUM	PDBeChem

Manual Xrefs	Databases
784	PDBeChem