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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CC3=CC=C(C=C3)C(=O)NCC4=CC=C(C=C4)Cl

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)CC3=CC=C(C=C3)C(=O)NCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H29ClN2O/c28-26-12-8-23(9-13-26)19-29-27(31)25-10-6-24(7-11-25)20-30-16-14-22(15-17-30)18-21-4-2-1-3-5-21/h1-13,22H,14-20H2,(H,29,31)/p+1