(2S)-N-(4-nitrophenyl)-4-oxidanylidene-2-pyrrolidin-1-ium-1-yl-4-pyrrolidin-1-yl-butanamide

Systemtic Name: (2S)-N-(4-nitrophenyl)-4-oxidanylidene-2-pyrrolidin-1-ium-1-yl-4-pyrrolidin-1-yl-butanamide Openeye Name: (2S)-N-(4-nitrophenyl)-4-oxo-2-pyrrolidin-1-ium-1-yl-4-pyrrolidin-1-yl-butanamide CAS Name: (2S)-N-(4-nitrophenyl)-4-oxo-2-(1-pyrrolidin-1-iumyl)-4-(1-pyrrolidinyl)butanamide IUPAC Name: (2S)-N-(4-nitrophenyl)-4-oxo-2-pyrrolidin-1-ium-1-yl-4-pyrrolidin-1-ylbutanamide Traditional Name: (2S)-4-keto-N-(4-nitrophenyl)-2-pyrrolidin-1-ium-1-yl-4-pyrrolidino-butyramide Formula: C18H25N4O4+ MolecularWeight: 361.4155

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CC(=O)N2CCCC2)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CC(=O)N2CCCC2)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H24N4O4/c23-17(21-11-3-4-12-21)13-16(20-9-1-2-10-20)18(24)19-14-5-7-15(8-6-14)22(25)26/h5-8,16H,1-4,9-13H2,(H,19,24)/p+1/t16-/m0/s1