N-[[(3R)-1-[(4-oxidanylidene-1H-quinolin-2-yl)methyl]piperidin-1-ium-3-yl]methyl]-1H-indole-2-carboxamide

Systemtic Name: N-[[(3R)-1-[(4-oxidanylidene-1H-quinolin-2-yl)methyl]piperidin-1-ium-3-yl]methyl]-1H-indole-2-carboxamide Openeye Name: N-[[(3R)-1-[(4-oxo-1H-quinolin-2-yl)methyl]piperidin-1-ium-3-yl]methyl]-1H-indole-2-carboxamide CAS Name: N-[[(3R)-1-[(4-oxo-1H-quinolin-2-yl)methyl]-3-piperidin-1-iumyl]methyl]-1H-indole-2-carboxamide IUPAC Name: N-[[(3R)-1-[(4-oxo-1H-quinolin-2-yl)methyl]piperidin-1-ium-3-yl]methyl]-1H-indole-2-carboxamide Traditional Name: N-[[(3R)-1-[(4-keto-1H-quinolin-2-yl)methyl]piperidin-1-ium-3-yl]methyl]-1H-indole-2-carboxamide Formula: C25H27N4O2+ MolecularWeight: 415.50748

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC(=O)C3=CC=CC=C3N2)CNC(=O)C4=CC5=CC=CC=C5N4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC(=O)C3=CC=CC=C3N2)CNC(=O)C4=CC5=CC=CC=C5N4

InChI

InChI=1S/C25H26N4O2/c30-24-13-19(27-22-10-4-2-8-20(22)24)16-29-11-5-6-17(15-29)14-26-25(31)23-12-18-7-1-3-9-21(18)28-23/h1-4,7-10,12-13,17,28H,5-6,11,14-16H2,(H,26,31)(H,27,30)/p+1/t17-/m1/s1