4-[(2-chlorophenyl)methyl]-N-(2,5-dimethylphenyl)piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[(2-chlorophenyl)methyl]-N-(2,5-dimethylphenyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-[(2-chlorophenyl)methyl]-N-(2,5-dimethylphenyl)piperazin-4-ium-1-carboxamide CAS Name: 4-[(2-chlorophenyl)methyl]-N-(2,5-dimethylphenyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(2-chlorophenyl)methyl]-N-(2,5-dimethylphenyl)piperazin-4-ium-1-carboxamide Traditional Name: 4-(2-chlorobenzyl)-N-(2,5-dimethylphenyl)piperazin-4-ium-1-carboxamide Formula: C20H25ClN3O+ MolecularWeight: 358.885

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3Cl

InChI

InChI=1S/C20H24ClN3O/c1-15-7-8-16(2)19(13-15)22-20(25)24-11-9-23(10-12-24)14-17-5-3-4-6-18(17)21/h3-8,13H,9-12,14H2,1-2H3,(H,22,25)/p+1