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

Systemtic Name: [3-[4-[(5-ethyl-2-methoxy-6-methyl-pyridin-3-yl)amino]piperazin-1-yl]-5-nitro-phenyl]-methylsulfanyl-oxidanylidene-azanium Openeye Name: [3-[4-[(5-ethyl-2-methoxy-6-methyl-3-pyridyl)amino]piperazin-1-yl]-5-nitro-phenyl]-methylsulfanyl-oxo-ammonium CAS Name: [3-[4-[(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)amino]-1-piperazinyl]-5-nitrophenyl]-(methylthio)-oxoammonium IUPAC Name: [3-[4-[(5-ethyl-2-methoxy-6-methylpyridin-3-yl)amino]piperazin-1-yl]-5-nitrophenyl]-methylsulfanyl-oxoazanium Traditional Name: [3-[4-[(5-ethyl-2-methoxy-6-methyl-3-pyridyl)amino]piperazino]-5-nitro-phenyl]-keto-(methylthio)ammonium Formula: C20H27N6O4S+ MolecularWeight: 447.53118

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(N=C1C)OC)NN2CCN(CC2)C3=CC(=CC(=C3)[N+](=O)SC)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC(=C(N=C1C)OC)NN2CCN(CC2)C3=CC(=CC(=C3)[N+](=O)SC)[N+](=O)[O-]

InChI

InChI=1S/C20H27N6O4S/c1-5-15-10-19(20(30-3)21-14(15)2)22-24-8-6-23(7-9-24)16-11-17(25(27)28)13-18(12-16)26(29)31-4/h10-13,22H,5-9H2,1-4H3/q+1