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

Systemtic Name: [3-[4-[[5-(1-azanylethyl)-2-methoxy-6-methyl-pyridin-3-yl]amino]piperazin-1-yl]-5-nitro-phenyl]-methylsulfanyl-oxidanylidene-azanium Openeye Name: [3-[4-[[5-(1-aminoethyl)-2-methoxy-6-methyl-3-pyridyl]amino]piperazin-1-yl]-5-nitro-phenyl]-methylsulfanyl-oxo-ammonium CAS Name: [3-[4-[[5-(1-aminoethyl)-2-methoxy-6-methyl-3-pyridinyl]amino]-1-piperazinyl]-5-nitrophenyl]-(methylthio)-oxoammonium IUPAC Name: [3-[4-[[5-(1-aminoethyl)-2-methoxy-6-methylpyridin-3-yl]amino]piperazin-1-yl]-5-nitrophenyl]-methylsulfanyl-oxoazanium Traditional Name: [3-[4-[[5-(1-aminoethyl)-2-methoxy-6-methyl-3-pyridyl]amino]piperazino]-5-nitro-phenyl]-keto-(methylthio)ammonium Formula: C20H28N7O4S+ MolecularWeight: 462.54582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N7O4S/c1-13(21)18-12-19(20(31-3)22-14(18)2)23-25-7-5-24(6-8-25)15-9-16(26(28)29)11-17(10-15)27(30)32-4/h9-13,23H,5-8,21H2,1-4H3/q+1