(2S)-2-(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)-N-(2-methoxy-5-nitro-phenyl)propanamide

Systemtic Name: (2S)-2-(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)-N-(2-methoxy-5-nitro-phenyl)propanamide Openeye Name: (2S)-2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(2-methoxy-5-nitro-phenyl)propanamide CAS Name: (2S)-2-[4-[cyclopropyl(oxo)methyl]-1-piperazin-1-iumyl]-N-(2-methoxy-5-nitrophenyl)propanamide IUPAC Name: (2S)-2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(2-methoxy-5-nitrophenyl)propanamide Traditional Name: (2S)-2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(2-methoxy-5-nitro-phenyl)propionamide Formula: C18H25N4O5+ MolecularWeight: 377.4149

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O5/c1-12(20-7-9-21(10-8-20)18(24)13-3-4-13)17(23)19-15-11-14(22(25)26)5-6-16(15)27-2/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,19,23)/p+1/t12-/m0/s1