N-(dimethylaminomethyl)-1-[3-(1H-indol-3-yl)-1-oxidanylidene-1-(4H-quinolin-1-yl)propan-2-yl]-1-[(1-methyl-2,3,4,5-tetrahydroindol-2-yl)carbonyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-(dimethylaminomethyl)-1-[3-(1H-indol-3-yl)-1-oxidanylidene-1-(4H-quinolin-1-yl)propan-2-yl]-1-[(1-methyl-2,3,4,5-tetrahydroindol-2-yl)carbonyl]piperidin-1-ium-4-carboxamide Openeye Name: N-(dimethylaminomethyl)-1-[1-(1H-indol-3-ylmethyl)-2-oxo-2-(4H-quinolin-1-yl)ethyl]-1-(1-methyl-2,3,4,5-tetrahydroindole-2-carbonyl)piperidin-1-ium-4-carboxamide CAS Name: N-(dimethylaminomethyl)-1-[3-(1H-indol-3-yl)-1-oxo-1-(4H-quinolin-1-yl)propan-2-yl]-1-[(1-methyl-2,3,4,5-tetrahydroindol-2-yl)-oxomethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(dimethylaminomethyl)-1-[3-(1H-indol-3-yl)-1-oxo-1-(4H-quinolin-1-yl)propan-2-yl]-1-(1-methyl-2,3,4,5-tetrahydroindole-2-carbonyl)piperidin-1-ium-4-carboxamide Traditional Name: N-(dimethylaminomethyl)-1-[1-(1H-indol-3-ylmethyl)-2-keto-2-(4H-quinolin-1-yl)ethyl]-1-(1-methyl-2,3,4,5-tetrahydroindole-2-carbonyl)piperidin-1-ium-4-carboxamide Formula: C39H47N6O3+ MolecularWeight: 647.82888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(CC2=C1C=CCC2)C(=O)[N+]3(CCC(CC3)C(=O)NCN(C)C)C(CC4=CNC5=CC=CC=C54)C(=O)N6C=CCC7=CC=CC=C76

Isomeric SMILES

CN1C(CC2=C1C=CCC2)C(=O)[N+]3(CCC(CC3)C(=O)NCN(C)C)C(CC4=CNC5=CC=CC=C54)C(=O)N6C=CCC7=CC=CC=C76

InChI

InChI=1S/C39H46N6O3/c1-42(2)26-41-37(46)28-18-21-45(22-19-28,39(48)35-23-29-12-5-8-16-33(29)43(35)3)36(24-30-25-40-32-15-7-6-14-31(30)32)38(47)44-20-10-13-27-11-4-9-17-34(27)44/h4,6-11,14-17,20,25,28,35-36,40H,5,12-13,18-19,21-24,26H2,1-3H3/p+1