2-(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)-N-(2-methyl-3-nitro-phenyl)ethanamide

Systemtic Name: 2-(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)-N-(2-methyl-3-nitro-phenyl)ethanamide Openeye Name: 2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(2-methyl-3-nitro-phenyl)acetamide CAS Name: 2-[4-[cyclopropyl(oxo)methyl]-1-piperazin-1-iumyl]-N-(2-methyl-3-nitrophenyl)acetamide IUPAC Name: 2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(2-methyl-3-nitrophenyl)acetamide Traditional Name: 2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(2-methyl-3-nitro-phenyl)acetamide Formula: C17H23N4O4+ MolecularWeight: 347.38892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O4/c1-12-14(3-2-4-15(12)21(24)25)18-16(22)11-19-7-9-20(10-8-19)17(23)13-5-6-13/h2-4,13H,5-11H2,1H3,(H,18,22)/p+1