2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-cyanopropan-2-yl)-N-methyl-ethanamide

Systemtic Name: 2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-cyanopropan-2-yl)-N-methyl-ethanamide Openeye Name: 2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(1-cyano-1-methyl-ethyl)-N-methyl-acetamide CAS Name: 2-[4-(2-chlorophenyl)-1-piperazin-1-iumyl]-N-(2-cyanopropan-2-yl)-N-methylacetamide IUPAC Name: 2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(2-cyanopropan-2-yl)-N-methylacetamide Traditional Name: 2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(1-cyano-1-methyl-ethyl)-N-methyl-acetamide Formula: C17H24ClN4O+ MolecularWeight: 335.85166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)N(C)C(=O)C[NH+]1CCN(CC1)C2=CC=CC=C2Cl

Isomeric SMILES

CC(C)(C#N)N(C)C(=O)C[NH+]1CCN(CC1)C2=CC=CC=C2Cl

InChI

InChI=1S/C17H23ClN4O/c1-17(2,13-19)20(3)16(23)12-21-8-10-22(11-9-21)15-7-5-4-6-14(15)18/h4-7H,8-12H2,1-3H3/p+1