(E)-3-isoquinolin-2-ium-2-yl-4-(methylamino)-4-sulfanylidene-but-2-en-2-olate

Systemtic Name: (E)-3-isoquinolin-2-ium-2-yl-4-(methylamino)-4-sulfanylidene-but-2-en-2-olate Openeye Name: (E)-3-isoquinolin-2-ium-2-yl-4-(methylamino)-4-thioxo-but-2-en-2-olate CAS Name: (E)-3-(2-isoquinolin-2-iumyl)-4-(methylamino)-4-sulfanylidene-2-buten-2-olate IUPAC Name: (E)-3-isoquinolin-2-ium-2-yl-4-(methylamino)-4-sulfanylidenebut-2-en-2-olate Traditional Name: (E)-3-isoquinolin-2-ium-2-yl-4-(methylamino)-4-thioxo-but-2-en-2-olate Formula: C14H14N2OS MolecularWeight: 258.33876

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=S)NC)[N+]1=CC2=CC=CC=C2C=C1)[O-]

Isomeric SMILES

C/C(=C(/C(=S)NC)\[N+]1=CC2=CC=CC=C2C=C1)/[O-]

InChI

InChI=1S/C14H14N2OS/c1-10(17)13(14(18)15-2)16-8-7-11-5-3-4-6-12(11)9-16/h3-9H,1-2H3,(H-,15,17,18)