2-[4-(3-chloranyl-2-cyano-phenyl)piperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide

Systemtic Name: 2-[4-(3-chloranyl-2-cyano-phenyl)piperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide Openeye Name: 2-[4-(3-chloro-2-cyano-phenyl)piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: 2-[4-(3-chloro-2-cyanophenyl)-1-piperazin-1-iumyl]-N-cyclopropylacetamide IUPAC Name: 2-[4-(3-chloro-2-cyanophenyl)piperazin-1-ium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-(3-chloro-2-cyano-phenyl)piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide Formula: C16H20ClN4O+ MolecularWeight: 319.8092

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)C3=C(C(=CC=C3)Cl)C#N

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)C3=C(C(=CC=C3)Cl)C#N

InChI

InChI=1S/C16H19ClN4O/c17-14-2-1-3-15(13(14)10-18)21-8-6-20(7-9-21)11-16(22)19-12-4-5-12/h1-3,12H,4-9,11H2,(H,19,22)/p+1