1-methyl-2-oxidanyl-3-(3-oxidanylidene-7-thiophen-2-yl-1,2,6,7-tetrahydro-1,2,4-triazepin-5-yl)-3H-quinolin-1-ium-4-one

Systemtic Name: 1-methyl-2-oxidanyl-3-(3-oxidanylidene-7-thiophen-2-yl-1,2,6,7-tetrahydro-1,2,4-triazepin-5-yl)-3H-quinolin-1-ium-4-one Openeye Name: 2-hydroxy-1-methyl-3-[3-oxo-7-(2-thienyl)-1,2,6,7-tetrahydro-1,2,4-triazepin-5-yl]-3H-quinolin-1-ium-4-one CAS Name: 2-hydroxy-1-methyl-3-(3-oxo-7-thiophen-2-yl-1,2,6,7-tetrahydro-1,2,4-triazepin-5-yl)-3H-quinolin-1-ium-4-one IUPAC Name: 2-hydroxy-1-methyl-3-(3-oxo-7-thiophen-2-yl-1,2,6,7-tetrahydro-1,2,4-triazepin-5-yl)-3H-quinolin-1-ium-4-one Traditional Name: 2-hydroxy-3-[3-keto-7-(2-thienyl)-1,2,6,7-tetrahydro-1,2,4-triazepin-5-yl]-1-methyl-3H-quinolin-1-ium-4-one Formula: C18H17N4O3S+ MolecularWeight: 369.41758

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C(C(=O)C2=CC=CC=C21)C3=NC(=O)NNC(C3)C4=CC=CS4)O

Isomeric SMILES

C[N+]1=C(C(C(=O)C2=CC=CC=C21)C3=NC(=O)NNC(C3)C4=CC=CS4)O

InChI

InChI=1S/C18H16N4O3S/c1-22-13-6-3-2-5-10(13)16(23)15(17(22)24)12-9-11(14-7-4-8-26-14)20-21-18(25)19-12/h2-8,11,15,20H,9H2,1H3,(H,21,25)/p+1