N-[(2-chlorophenyl)methyl]-1-[(3-methylphenyl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-[(2-chlorophenyl)methyl]-1-[(3-methylphenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-[(2-chlorophenyl)methyl]-1-(m-tolylmethyl)piperidin-1-ium-4-carboxamide CAS Name: N-[(2-chlorophenyl)methyl]-1-[(3-methylphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[(2-chlorophenyl)methyl]-1-[(3-methylphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-(2-chlorobenzyl)-1-(3-methylbenzyl)piperidin-1-ium-4-carboxamide Formula: C21H26ClN2O+ MolecularWeight: 357.89694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCC(CC2)C(=O)NCC3=CC=CC=C3Cl

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCC(CC2)C(=O)NCC3=CC=CC=C3Cl

InChI

InChI=1S/C21H25ClN2O/c1-16-5-4-6-17(13-16)15-24-11-9-18(10-12-24)21(25)23-14-19-7-2-3-8-20(19)22/h2-8,13,18H,9-12,14-15H2,1H3,(H,23,25)/p+1