1-[(3-ethanoylphenyl)methyl]-N-[4-(1H-indol-2-yl)phenyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(3-ethanoylphenyl)methyl]-N-[4-(1H-indol-2-yl)phenyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(3-acetylphenyl)methyl]-N-[4-(1H-indol-2-yl)phenyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(3-acetylphenyl)methyl]-N-[4-(1H-indol-2-yl)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(3-acetylphenyl)methyl]-N-[4-(1H-indol-2-yl)phenyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(3-acetylbenzyl)-N-[4-(1H-indol-2-yl)phenyl]piperidin-1-ium-4-carboxamide Formula: C29H30N3O2+ MolecularWeight: 452.5674

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)C[NH+]2CCC(CC2)C(=O)NC3=CC=C(C=C3)C4=CC5=CC=CC=C5N4

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)C[NH+]2CCC(CC2)C(=O)NC3=CC=C(C=C3)C4=CC5=CC=CC=C5N4

InChI

InChI=1S/C29H29N3O2/c1-20(33)24-7-4-5-21(17-24)19-32-15-13-23(14-16-32)29(34)30-26-11-9-22(10-12-26)28-18-25-6-2-3-8-27(25)31-28/h2-12,17-18,23,31H,13-16,19H2,1H3,(H,30,34)/p+1