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

Systemtic Name: 2-[4-(4-bromanyl-2-nitro-phenyl)piperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide Openeye Name: 2-[4-(4-bromo-2-nitro-phenyl)piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: 2-[4-(4-bromo-2-nitrophenyl)-1-piperazin-1-iumyl]-N-cyclopropylacetamide IUPAC Name: 2-[4-(4-bromo-2-nitrophenyl)piperazin-1-ium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-(4-bromo-2-nitro-phenyl)piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide Formula: C15H20BrN4O3+ MolecularWeight: 384.2483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19BrN4O3/c16-11-1-4-13(14(9-11)20(22)23)19-7-5-18(6-8-19)10-15(21)17-12-2-3-12/h1,4,9,12H,2-3,5-8,10H2,(H,17,21)/p+1