3-[1-[1-(4-methoxyphenyl)piperidin-4-yl]piperidin-1-ium-4-yl]-N-(3-methylphenyl)propanamide

Systemtic Name: 3-[1-[1-(4-methoxyphenyl)piperidin-4-yl]piperidin-1-ium-4-yl]-N-(3-methylphenyl)propanamide Openeye Name: 3-[1-[1-(4-methoxyphenyl)-4-piperidyl]piperidin-1-ium-4-yl]-N-(m-tolyl)propanamide CAS Name: 3-[1-[1-(4-methoxyphenyl)-4-piperidinyl]-4-piperidin-1-iumyl]-N-(3-methylphenyl)propanamide IUPAC Name: 3-[1-[1-(4-methoxyphenyl)piperidin-4-yl]piperidin-1-ium-4-yl]-N-(3-methylphenyl)propanamide Traditional Name: 3-[1-[1-(4-methoxyphenyl)-4-piperidyl]piperidin-1-ium-4-yl]-N-(m-tolyl)propionamide Formula: C27H38N3O2+ MolecularWeight: 436.60952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CCC2CC[NH+](CC2)C3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CCC2CC[NH+](CC2)C3CCN(CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C27H37N3O2/c1-21-4-3-5-23(20-21)28-27(31)11-6-22-12-16-29(17-13-22)25-14-18-30(19-15-25)24-7-9-26(32-2)10-8-24/h3-5,7-10,20,22,25H,6,11-19H2,1-2H3,(H,28,31)/p+1