N-(2-chloranyl-4,6-dimethyl-phenyl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-chloranyl-4,6-dimethyl-phenyl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-chloro-4,6-dimethyl-phenyl)-2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-chloro-4,6-dimethylphenyl)-2-[4-(2-methylphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-chloro-4,6-dimethylphenyl)-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-chloro-4,6-dimethyl-phenyl)-2-[4-(o-tolyl)piperazin-1-ium-1-yl]acetamide Formula: C21H27ClN3O+ MolecularWeight: 372.91158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NC3=C(C=C(C=C3Cl)C)C

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NC3=C(C=C(C=C3Cl)C)C

InChI

InChI=1S/C21H26ClN3O/c1-15-12-17(3)21(18(22)13-15)23-20(26)14-24-8-10-25(11-9-24)19-7-5-4-6-16(19)2/h4-7,12-13H,8-11,14H2,1-3H3,(H,23,26)/p+1