2-[4-(3,4-dichlorophenyl)carbonylpiperazin-1-ium-1-yl]-N-(2-ethylphenyl)ethanamide

Systemtic Name: 2-[4-(3,4-dichlorophenyl)carbonylpiperazin-1-ium-1-yl]-N-(2-ethylphenyl)ethanamide Openeye Name: 2-[4-(3,4-dichlorobenzoyl)piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide CAS Name: 2-[4-[(3,4-dichlorophenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(2-ethylphenyl)acetamide IUPAC Name: 2-[4-(3,4-dichlorobenzoyl)piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide Traditional Name: 2-[4-(3,4-dichlorobenzoyl)piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide Formula: C21H24Cl2N3O2+ MolecularWeight: 421.34016

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H23Cl2N3O2/c1-2-15-5-3-4-6-19(15)24-20(27)14-25-9-11-26(12-10-25)21(28)16-7-8-17(22)18(23)13-16/h3-8,13H,2,9-12,14H2,1H3,(H,24,27)/p+1