N-(3-chloranyl-4-methyl-phenyl)-2-[4-(2,4-dimethylphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-2-[4-(2,4-dimethylphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-2-[4-(2,4-dimethylphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-chloro-4-methylphenyl)-2-[4-(2,4-dimethylphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-chloro-4-methylphenyl)-2-[4-(2,4-dimethylphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-2-[4-(2,4-dimethylphenyl)piperazin-1-ium-1-yl]acetamide Formula: C21H27ClN3O+ MolecularWeight: 372.91158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2CC[NH+](CC2)CC(=O)NC3=CC(=C(C=C3)C)Cl)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2CC[NH+](CC2)CC(=O)NC3=CC(=C(C=C3)C)Cl)C

InChI

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