1-methylidene-8-[methyl-[(E)-(1-methylpyrazin-2-ylidene)amino]amino]-3-(trioxidanylsulfanyl)quinolin-1-ium-5-one

Systemtic Name: 1-methylidene-8-[methyl-[(E)-(1-methylpyrazin-2-ylidene)amino]amino]-3-(trioxidanylsulfanyl)quinolin-1-ium-5-one Openeye Name: 1-methylene-8-[methyl-[(E)-(1-methylpyrazin-2-ylidene)amino]amino]-3-(trioxidanylsulfanyl)quinolin-1-ium-5-one CAS Name: 1-methylene-8-[methyl-[(E)-(1-methyl-2-pyrazinylidene)amino]amino]-5-oxo-3-quinolin-1-iumsulfenic acid hydroperoxy ester IUPAC Name: 1-methylidene-8-[methyl-[(E)-(1-methylpyrazin-2-ylidene)amino]amino]-3-(trioxidanylsulfanyl)quinolin-1-ium-5-one Traditional Name: 1-methylene-8-[methyl-[(E)-(1-methylpyrazin-2-ylidene)amino]amino]-3-(trioxidanylthio)quinolin-1-ium-5-one Formula: C16H16N5O4S+ MolecularWeight: 374.39434

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=CC1=NN(C)C2=C3C(=CC(=C[N+]3=C)SOOO)C(=O)C=C2

Isomeric SMILES

CN\1C=CN=C/C1=N\N(C)C2=C3C(=CC(=C[N+]3=C)SOOO)C(=O)C=C2

InChI

InChI=1S/C16H15N5O4S/c1-19-7-6-17-9-15(19)18-21(3)13-4-5-14(22)12-8-11(26-25-24-23)10-20(2)16(12)13/h4-10H,2H2,1,3H3/p+1/b18-15+