N-(2-methoxy-5-methyl-phenyl)-4-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]benzamide

Systemtic Name: N-(2-methoxy-5-methyl-phenyl)-4-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]benzamide Openeye Name: 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-N-(2-methoxy-5-methyl-phenyl)benzamide CAS Name: N-(2-methoxy-5-methylphenyl)-4-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]benzamide IUPAC Name: 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-N-(2-methoxy-5-methylphenyl)benzamide Traditional Name: 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-N-(2-methoxy-5-methyl-phenyl)benzamide Formula: C28H33N2O2+ MolecularWeight: 429.57382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C2=CC=C(C=C2)C[NH+]3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)C2=CC=C(C=C2)C[NH+]3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C28H32N2O2/c1-21-8-13-27(32-2)26(18-21)29-28(31)25-11-9-24(10-12-25)20-30-16-14-23(15-17-30)19-22-6-4-3-5-7-22/h3-13,18,23H,14-17,19-20H2,1-2H3,(H,29,31)/p+1