1-[(3-bromophenyl)methyl]-N-[(4-methylphenyl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(3-bromophenyl)methyl]-N-[(4-methylphenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(3-bromophenyl)methyl]-N-(p-tolylmethyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[(3-bromophenyl)methyl]-N-[(4-methylphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(3-bromophenyl)methyl]-N-[(4-methylphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(3-bromobenzyl)-N-(4-methylbenzyl)piperidin-1-ium-4-carboxamide Formula: C21H26BrN2O+ MolecularWeight: 402.34794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2CC[NH+](CC2)CC3=CC(=CC=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2CC[NH+](CC2)CC3=CC(=CC=C3)Br

InChI

InChI=1S/C21H25BrN2O/c1-16-5-7-17(8-6-16)14-23-21(25)19-9-11-24(12-10-19)15-18-3-2-4-20(22)13-18/h2-8,13,19H,9-12,14-15H2,1H3,(H,23,25)/p+1