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

Systemtic Name: N-(4-chloranyl-2-methyl-phenyl)-4-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]benzamide Openeye Name: 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-N-(4-chloro-2-methyl-phenyl)benzamide CAS Name: N-(4-chloro-2-methylphenyl)-4-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]benzamide IUPAC Name: 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-N-(4-chloro-2-methylphenyl)benzamide Traditional Name: 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-N-(4-chloro-2-methyl-phenyl)benzamide Formula: C27H30ClN2O+ MolecularWeight: 433.9929

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29ClN2O/c1-20-17-25(28)11-12-26(20)29-27(31)24-9-7-23(8-10-24)19-30-15-13-22(14-16-30)18-21-5-3-2-4-6-21/h2-12,17,22H,13-16,18-19H2,1H3,(H,29,31)/p+1