methyl-[methylamino-[1-(4-nitrophenyl)-2-oxidanylidene-pyrrolidin-3-yl]sulfanyl-methylidene]azanium

Systemtic Name: methyl-[methylamino-[1-(4-nitrophenyl)-2-oxidanylidene-pyrrolidin-3-yl]sulfanyl-methylidene]azanium Openeye Name: methyl-[methylamino-[1-(4-nitrophenyl)-2-oxo-pyrrolidin-3-yl]sulfanyl-methylene]ammonium CAS Name: methyl-[methylamino-[[1-(4-nitrophenyl)-2-oxo-3-pyrrolidinyl]thio]methylidene]ammonium IUPAC Name: methyl-[methylamino-[1-(4-nitrophenyl)-2-oxopyrrolidin-3-yl]sulfanylmethylidene]azanium Traditional Name: [[[2-keto-1-(4-nitrophenyl)pyrrolidin-3-yl]thio]-(methylamino)methylene]-methyl-ammonium Formula: C13H17N4O3S+ MolecularWeight: 309.36408

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=[NH+]C)SC1CCN(C1=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CNC(=[NH+]C)SC1CCN(C1=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H16N4O3S/c1-14-13(15-2)21-11-7-8-16(12(11)18)9-3-5-10(6-4-9)17(19)20/h3-6,11H,7-8H2,1-2H3,(H,14,15)/p+1