N-(2-chlorophenyl)-2-[4-(3-methoxy-4-methyl-phenyl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-chlorophenyl)-2-[4-(3-methoxy-4-methyl-phenyl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-chlorophenyl)-2-[4-(3-methoxy-4-methyl-benzoyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-chlorophenyl)-2-[4-[(3-methoxy-4-methylphenyl)-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-chlorophenyl)-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-chlorophenyl)-2-[4-(3-methoxy-4-methyl-benzoyl)piperazin-1-ium-1-yl]acetamide Formula: C21H25ClN3O3+ MolecularWeight: 402.8945

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3Cl)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3Cl)OC

InChI

InChI=1S/C21H24ClN3O3/c1-15-7-8-16(13-19(15)28-2)21(27)25-11-9-24(10-12-25)14-20(26)23-18-6-4-3-5-17(18)22/h3-8,13H,9-12,14H2,1-2H3,(H,23,26)/p+1