N-(2-methylphenyl)-4-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]benzamide

Systemtic Name: N-(2-methylphenyl)-4-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]benzamide Openeye Name: 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-N-(o-tolyl)benzamide CAS Name: N-(2-methylphenyl)-4-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]benzamide IUPAC Name: 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-N-(2-methylphenyl)benzamide Traditional Name: 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-N-(o-tolyl)benzamide Formula: C27H31N2O+ MolecularWeight: 399.54784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)C[NH+]3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)C[NH+]3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H30N2O/c1-21-7-5-6-10-26(21)28-27(30)25-13-11-24(12-14-25)20-29-17-15-23(16-18-29)19-22-8-3-2-4-9-22/h2-14,23H,15-20H2,1H3,(H,28,30)/p+1