(2S)-2-(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)-N-(3-nitrophenyl)propanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])[NH+]2CCN(CC2)C(=O)C3CC3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])[NH+]2CCN(CC2)C(=O)C3CC3

InChI

InChI=1S/C17H22N4O4/c1-12(16(22)18-14-3-2-4-15(11-14)21(24)25)19-7-9-20(10-8-19)17(23)13-5-6-13/h2-4,11-13H,5-10H2,1H3,(H,18,22)/p+1/t12-/m0/s1