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

Systemtic Name: N-(2,5-dimethylphenyl)-4-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]benzamide Openeye Name: 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-N-(2,5-dimethylphenyl)benzamide CAS Name: N-(2,5-dimethylphenyl)-4-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]benzamide IUPAC Name: 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-N-(2,5-dimethylphenyl)benzamide Traditional Name: 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-N-(2,5-dimethylphenyl)benzamide Formula: C28H33N2O+ MolecularWeight: 413.57442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32N2O/c1-21-8-9-22(2)27(18-21)29-28(31)26-12-10-25(11-13-26)20-30-16-14-24(15-17-30)19-23-6-4-3-5-7-23/h3-13,18,24H,14-17,19-20H2,1-2H3,(H,29,31)/p+1