2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-[(3,4-dimethylphenyl)carbamoyl]ethanamide

Systemtic Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-[(3,4-dimethylphenyl)carbamoyl]ethanamide Openeye Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-[(3,4-dimethylphenyl)carbamoyl]acetamide CAS Name: 2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-N-[(3,4-dimethylanilino)-oxomethyl]acetamide IUPAC Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-[(3,4-dimethylphenyl)carbamoyl]acetamide Traditional Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-[(3,4-dimethylphenyl)carbamoyl]acetamide Formula: C21H26ClN4O2+ MolecularWeight: 401.90974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NC(=O)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NC(=O)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl)C

InChI

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