[3-[4-[(2-methoxy-5,6-dimethyl-pyridin-3-yl)amino]piperazin-1-yl]-5-nitro-phenyl]-methylsulfanyl-oxidanylidene-azanium

Systemtic Name: [3-[4-[(2-methoxy-5,6-dimethyl-pyridin-3-yl)amino]piperazin-1-yl]-5-nitro-phenyl]-methylsulfanyl-oxidanylidene-azanium Openeye Name: [3-[4-[(2-methoxy-5,6-dimethyl-3-pyridyl)amino]piperazin-1-yl]-5-nitro-phenyl]-methylsulfanyl-oxo-ammonium CAS Name: [3-[4-[(2-methoxy-5,6-dimethyl-3-pyridinyl)amino]-1-piperazinyl]-5-nitrophenyl]-(methylthio)-oxoammonium IUPAC Name: [3-[4-[(2-methoxy-5,6-dimethylpyridin-3-yl)amino]piperazin-1-yl]-5-nitrophenyl]-methylsulfanyl-oxoazanium Traditional Name: keto-[3-[4-[(2-methoxy-5,6-dimethyl-3-pyridyl)amino]piperazino]-5-nitro-phenyl]-(methylthio)ammonium Formula: C19H25N6O4S+ MolecularWeight: 433.5046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N=C1C)OC)NN2CCN(CC2)C3=CC(=CC(=C3)[N+](=O)SC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N=C1C)OC)NN2CCN(CC2)C3=CC(=CC(=C3)[N+](=O)SC)[N+](=O)[O-]

InChI

InChI=1S/C19H25N6O4S/c1-13-9-18(19(29-3)20-14(13)2)21-23-7-5-22(6-8-23)15-10-16(24(26)27)12-17(11-15)25(28)30-4/h9-12,21H,5-8H2,1-4H3/q+1