3-[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-yl]-N-(3-methylphenyl)propanamide

Systemtic Name: 3-[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-yl]-N-(3-methylphenyl)propanamide Openeye Name: 3-[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-yl]-N-(m-tolyl)propanamide CAS Name: 3-[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-piperidin-1-iumyl]-N-(3-methylphenyl)propanamide IUPAC Name: 3-[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-yl]-N-(3-methylphenyl)propanamide Traditional Name: 3-[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-4-yl]-N-(m-tolyl)propionamide Formula: C24H31N2O4+ MolecularWeight: 411.51394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CCC2CC[NH+](CC2)CC3=CC4=C(C(=C3)OC)OCO4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CCC2CC[NH+](CC2)CC3=CC4=C(C(=C3)OC)OCO4

InChI

InChI=1S/C24H30N2O4/c1-17-4-3-5-20(12-17)25-23(27)7-6-18-8-10-26(11-9-18)15-19-13-21(28-2)24-22(14-19)29-16-30-24/h3-5,12-14,18H,6-11,15-16H2,1-2H3,(H,25,27)/p+1