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

Systemtic Name: [3-[4-[(5-ethanoyl-2-methoxy-6-methyl-pyridin-3-yl)amino]piperazin-1-yl]-5-nitro-phenyl]-methylsulfanyl-oxidanylidene-azanium Openeye Name: [3-[4-[(5-acetyl-2-methoxy-6-methyl-3-pyridyl)amino]piperazin-1-yl]-5-nitro-phenyl]-methylsulfanyl-oxo-ammonium CAS Name: [3-[4-[(5-acetyl-2-methoxy-6-methyl-3-pyridinyl)amino]-1-piperazinyl]-5-nitrophenyl]-(methylthio)-oxoammonium IUPAC Name: [3-[4-[(5-acetyl-2-methoxy-6-methylpyridin-3-yl)amino]piperazin-1-yl]-5-nitrophenyl]-methylsulfanyl-oxoazanium Traditional Name: [3-[4-[(5-acetyl-2-methoxy-6-methyl-3-pyridyl)amino]piperazino]-5-nitro-phenyl]-keto-(methylthio)ammonium Formula: C20H25N6O5S+ MolecularWeight: 461.5147

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N6O5S/c1-13-18(14(2)27)12-19(20(21-13)31-3)22-24-7-5-23(6-8-24)15-9-16(25(28)29)11-17(10-15)26(30)32-4/h9-12,22H,5-8H2,1-4H3/q+1