N-(4-acetamidophenyl)-2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-acetamidophenyl)-2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-acetamidophenyl)-2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-acetamidophenyl)-2-[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-acetamidophenyl)-2-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-acetamidophenyl)-2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]acetamide Formula: C21H26ClN4O2+ MolecularWeight: 401.90974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN4O2/c1-15-3-4-17(22)13-20(15)26-11-9-25(10-12-26)14-21(28)24-19-7-5-18(6-8-19)23-16(2)27/h3-8,13H,9-12,14H2,1-2H3,(H,23,27)(H,24,28)/p+1