1-(1H-indol-2-ylmethyl)-N-[2-(3-methoxyphenyl)phenyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-(1H-indol-2-ylmethyl)-N-[2-(3-methoxyphenyl)phenyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-(1H-indol-2-ylmethyl)-N-[2-(3-methoxyphenyl)phenyl]piperidin-1-ium-4-carboxamide CAS Name: 1-(1H-indol-2-ylmethyl)-N-[2-(3-methoxyphenyl)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-(1H-indol-2-ylmethyl)-N-[2-(3-methoxyphenyl)phenyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(1H-indol-2-ylmethyl)-N-[2-(3-methoxyphenyl)phenyl]piperidin-1-ium-4-carboxamide Formula: C28H30N3O2+ MolecularWeight: 440.5567

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CC=CC=C2NC(=O)C3CC[NH+](CC3)CC4=CC5=CC=CC=C5N4

Isomeric SMILES

COC1=CC=CC(=C1)C2=CC=CC=C2NC(=O)C3CC[NH+](CC3)CC4=CC5=CC=CC=C5N4

InChI

InChI=1S/C28H29N3O2/c1-33-24-9-6-8-21(18-24)25-10-3-5-12-27(25)30-28(32)20-13-15-31(16-14-20)19-23-17-22-7-2-4-11-26(22)29-23/h2-12,17-18,20,29H,13-16,19H2,1H3,(H,30,32)/p+1