N-[3-(azepan-1-ium-1-yl)propyl]-3-(4-methoxyphenyl)-2-methyl-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxamide

Systemtic Name: N-[3-(azepan-1-ium-1-yl)propyl]-3-(4-methoxyphenyl)-2-methyl-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxamide Openeye Name: N-[3-(azepan-1-ium-1-yl)propyl]-3-(4-methoxyphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide CAS Name: N-[3-(1-azepan-1-iumyl)propyl]-3-(4-methoxyphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide IUPAC Name: N-[3-(azepan-1-ium-1-yl)propyl]-3-(4-methoxyphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide Traditional Name: N-[3-(azepan-1-ium-1-yl)propyl]-1-keto-3-(4-methoxyphenyl)-2-methyl-3,4-dihydroisoquinoline-4-carboxamide Formula: C27H36N3O3+ MolecularWeight: 450.59304

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(C2=CC=CC=C2C1=O)C(=O)NCCC[NH+]3CCCCCC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CN1C(C(C2=CC=CC=C2C1=O)C(=O)NCCC[NH+]3CCCCCC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C27H35N3O3/c1-29-25(20-12-14-21(33-2)15-13-20)24(22-10-5-6-11-23(22)27(29)32)26(31)28-16-9-19-30-17-7-3-4-8-18-30/h5-6,10-15,24-25H,3-4,7-9,16-19H2,1-2H3,(H,28,31)/p+1