CHEBI:85972 - ivabradine(1+)

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ChEBI Name ivabradine(1+) ChEBI ID CHEBI:85972 Definition An organic cation obtained by protonation of the tertiary amino group of ivabradine. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C27H37N2O5 Net Charge +1 Average Mass 469.59250 Monoisotopic Mass 469.26970 InChI InChI=1S/C27H36N2O5/c1-28(17-21-11-20-14-25(33-4)26(34-5)16-22(20)21)8-6-9-29-10-7-18-12-23(31-2)24(32-3)13-19(18)15-27(29)30/h12-14,16,21H,6-11,15,17H2,1-5H3/p+1/t21-/m1/s1 InChIKey ACRHBAYQBXXRTO-OAQYLSRUSA-O SMILES COc1cc2C[C@H](C[NH+](C)CCCN3CCc4cc(OC)c(OC)cc4CC3=O)c2cc1OC ChEBI Ontology Outgoing ivabradine(1+) (CHEBI:85972) is a ammonium ion derivative (CHEBI:35274) ivabradine(1+) (CHEBI:85972) is a organic cation (CHEBI:25697) ivabradine(1+) (CHEBI:85972) is conjugate acid of ivabradine (CHEBI:85966) Incoming ivabradine hydrochloride (CHEBI:85969) has part ivabradine(1+) (CHEBI:85972) ivabradine (CHEBI:85966) is conjugate base of ivabradine(1+) (CHEBI:85972) IUPAC Name N-{[(7S)-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]methyl}-3-(7,8-dimethoxy-2-oxo-1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl)-N-methylpropan-1-aminium Synonym Source ivabradine cation ChEBI Last Modified 09 June 2015