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

Systemtic Name: N-[(3-chlorophenyl)methyl]-4-[(2-methylphenyl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: N-[(3-chlorophenyl)methyl]-4-(o-tolylmethyl)piperazin-4-ium-1-carboxamide CAS Name: N-[(3-chlorophenyl)methyl]-4-[(2-methylphenyl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-[(3-chlorophenyl)methyl]-4-[(2-methylphenyl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: N-(3-chlorobenzyl)-4-(2-methylbenzyl)piperazin-4-ium-1-carboxamide Formula: C20H25ClN3O+ MolecularWeight: 358.885

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)NCC3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)NCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H24ClN3O/c1-16-5-2-3-7-18(16)15-23-9-11-24(12-10-23)20(25)22-14-17-6-4-8-19(21)13-17/h2-8,13H,9-12,14-15H2,1H3,(H,22,25)/p+1