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

Systemtic Name: 2-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide Openeye Name: 2-[4-(2-chloro-4-nitro-phenyl)piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: 2-[4-(2-chloro-4-nitrophenyl)-1-piperazin-1-iumyl]-N-cyclopropylacetamide IUPAC Name: 2-[4-(2-chloro-4-nitrophenyl)piperazin-1-ium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-(2-chloro-4-nitro-phenyl)piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide Formula: C15H20ClN4O3+ MolecularWeight: 339.7973

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19ClN4O3/c16-13-9-12(20(22)23)3-4-14(13)19-7-5-18(6-8-19)10-15(21)17-11-1-2-11/h3-4,9,11H,1-2,5-8,10H2,(H,17,21)/p+1