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

Systemtic Name: N-(3-methylphenyl)-3-[1-(1-phenethylpiperidin-4-yl)piperidin-1-ium-4-yl]propanamide Openeye Name: N-(m-tolyl)-3-[1-(1-phenethyl-4-piperidyl)piperidin-1-ium-4-yl]propanamide CAS Name: N-(3-methylphenyl)-3-[1-(1-phenethyl-4-piperidinyl)-4-piperidin-1-iumyl]propanamide IUPAC Name: N-(3-methylphenyl)-3-[1-(1-phenethylpiperidin-4-yl)piperidin-1-ium-4-yl]propanamide Traditional Name: N-(m-tolyl)-3-[1-(1-phenethyl-4-piperidyl)piperidin-1-ium-4-yl]propionamide Formula: C28H40N3O+ MolecularWeight: 434.6367

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CCC2CC[NH+](CC2)C3CCN(CC3)CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CCC2CC[NH+](CC2)C3CCN(CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C28H39N3O/c1-23-6-5-9-26(22-23)29-28(32)11-10-25-13-20-31(21-14-25)27-15-18-30(19-16-27)17-12-24-7-3-2-4-8-24/h2-9,22,25,27H,10-21H2,1H3,(H,29,32)/p+1