2-(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)-N-(2,3-dimethyl-6-nitro-phenyl)ethanamide

Systemtic Name: 2-(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)-N-(2,3-dimethyl-6-nitro-phenyl)ethanamide Openeye Name: 2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(2,3-dimethyl-6-nitro-phenyl)acetamide CAS Name: 2-[4-[cyclopropyl(oxo)methyl]-1-piperazin-1-iumyl]-N-(2,3-dimethyl-6-nitrophenyl)acetamide IUPAC Name: 2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(2,3-dimethyl-6-nitrophenyl)acetamide Traditional Name: 2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(2,3-dimethyl-6-nitro-phenyl)acetamide Formula: C18H25N4O4+ MolecularWeight: 361.4155

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+]2CCN(CC2)C(=O)C3CC3)C

Isomeric SMILES

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+]2CCN(CC2)C(=O)C3CC3)C

InChI

InChI=1S/C18H24N4O4/c1-12-3-6-15(22(25)26)17(13(12)2)19-16(23)11-20-7-9-21(10-8-20)18(24)14-4-5-14/h3,6,14H,4-5,7-11H2,1-2H3,(H,19,23)/p+1