8-[methanidyl-[(E)-(1-methanidylpyridin-2-ylidene)amino]amino]-1-methylidene-5-oxidanylidene-quinolin-1-ium-3-sulfonate

Systemtic Name: 8-[methanidyl-[(E)-(1-methanidylpyridin-2-ylidene)amino]amino]-1-methylidene-5-oxidanylidene-quinolin-1-ium-3-sulfonate Openeye Name: 8-[methanidyl-[(E)-(1-methanidyl-2-pyridylidene)amino]amino]-1-methylene-5-oxo-quinolin-1-ium-3-sulfonate CAS Name: 8-[methanidyl-[(E)-(1-methanidyl-2-pyridinylidene)amino]amino]-1-methylene-5-oxo-3-quinolin-1-iumsulfonate IUPAC Name: 8-[methanidyl-[(E)-(1-methanidylpyridin-2-ylidene)amino]amino]-1-methylidene-5-oxoquinolin-1-ium-3-sulfonate Traditional Name: 5-keto-8-[methanidyl-[(E)-(1-methanidyl-2-pyridylidene)amino]amino]-1-methylene-quinolin-1-ium-3-sulfonate Formula: C17H14N4O4S-2 MolecularWeight: 370.38246

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Descriptors Computed from Structure

Canonical SMILES:

[CH2-]N1C=CC=CC1=NN([CH2-])C2=C3C(=CC(=C[N+]3=C)S(=O)(=O)[O-])C(=O)C=C2

Isomeric SMILES

[CH2-]N\1C=CC=C/C1=N\N([CH2-])C2=C3C(=CC(=C[N+]3=C)S(=O)(=O)[O-])C(=O)C=C2

InChI

InChI=1S/C17H15N4O4S/c1-19-9-5-4-6-16(19)18-21(3)14-7-8-15(22)13-10-12(26(23,24)25)11-20(2)17(13)14/h4-11H,1-3H2,(H,23,24,25)/q-1/p-1/b18-16+