sodium 1-ethyl-7-[1-ethyl-3-[(Z)-hept-2-en-3-yl]-2-sulfanylidene-1H-pyridin-1-ium-4-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: sodium 1-ethyl-7-[1-ethyl-3-[(Z)-hept-2-en-3-yl]-2-sulfanylidene-1H-pyridin-1-ium-4-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: sodium 1-ethyl-7-[1-ethyl-3-[(1Z)-1-ethylidenepentyl]-2-thioxo-1H-pyridin-1-ium-4-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: sodium 1-ethyl-7-[1-ethyl-3-[(Z)-hept-2-en-3-yl]-2-sulfanylidene-1H-pyridin-1-ium-4-yl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: sodium 1-ethyl-7-[1-ethyl-3-[(Z)-hept-2-en-3-yl]-2-sulfanylidene-1H-pyridin-1-ium-4-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: sodium 7-[3-[(Z)-1-butylprop-1-enyl]-1-ethyl-2-thioxo-1H-pyridin-1-ium-4-yl]-1-ethyl-4-keto-quinoline-3-carboxylic acid Formula: C26H31N2NaO3S+2 MolecularWeight: 474.59071

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=CC)C1=C(C=C[NH+](C1=S)CC)C2=CC3=C(C=C2)C(=O)C(=CN3CC)C(=O)O.[Na+]

Isomeric SMILES

CCCC/C(=C/C)/C1=C(C=C[NH+](C1=S)CC)C2=CC3=C(C=C2)C(=O)C(=CN3CC)C(=O)O.[Na+]

InChI

InChI=1S/C26H30N2O3S.Na/c1-5-9-10-17(6-2)23-19(13-14-27(7-3)25(23)32)18-11-12-20-22(15-18)28(8-4)16-21(24(20)29)26(30)31;/h6,11-16H,5,7-10H2,1-4H3,(H,30,31);/q;+1/p+1/b17-6-;