N-[4-(3-methylphenyl)phenyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidin-1-ium-4-carboxamide

Systemtic Name: N-[4-(3-methylphenyl)phenyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidin-1-ium-4-carboxamide Openeye Name: 1-(1-isopropyl-4-piperidyl)-N-[4-(m-tolyl)phenyl]piperidin-1-ium-4-carboxamide CAS Name: N-[4-(3-methylphenyl)phenyl]-1-(1-propan-2-yl-4-piperidinyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-[4-(3-methylphenyl)phenyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidin-1-ium-4-carboxamide Traditional Name: 1-(1-isopropyl-4-piperidyl)-N-[4-(m-tolyl)phenyl]piperidin-1-ium-4-carboxamide Formula: C27H38N3O+ MolecularWeight: 420.61012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CC=C(C=C2)NC(=O)C3CC[NH+](CC3)C4CCN(CC4)C(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=CC=C(C=C2)NC(=O)C3CC[NH+](CC3)C4CCN(CC4)C(C)C

InChI

InChI=1S/C27H37N3O/c1-20(2)29-17-13-26(14-18-29)30-15-11-23(12-16-30)27(31)28-25-9-7-22(8-10-25)24-6-4-5-21(3)19-24/h4-10,19-20,23,26H,11-18H2,1-3H3,(H,28,31)/p+1