1-ethenyl-4-oxidanylidene-7-[4-(phenylmethyl)-1,6-didehydro-3,5-dihydro-2H-pyrazin-1-ium-5-yl]quinoline-3-carboxylic acid

Systemtic Name: 1-ethenyl-4-oxidanylidene-7-[4-(phenylmethyl)-1,6-didehydro-3,5-dihydro-2H-pyrazin-1-ium-5-yl]quinoline-3-carboxylic acid Openeye Name: 7-(4-benzyl-1,6-didehydro-3,5-dihydro-2H-pyrazin-1-ium-5-yl)-4-oxo-1-vinyl-quinoline-3-carboxylic acid CAS Name: 1-ethenyl-4-oxo-7-[4-(phenylmethyl)-1,6-didehydro-3,5-dihydro-2H-pyrazin-1-ium-5-yl]-3-quinolinecarboxylic acid IUPAC Name: 7-(4-benzyl-1,6-didehydro-3,5-dihydro-2H-pyrazin-1-ium-5-yl)-1-ethenyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(4-benzyl-1,6-didehydro-3,5-dihydro-2H-pyrazin-1-ium-5-yl)-4-keto-1-vinyl-quinoline-3-carboxylic acid Formula: C23H20N3O3+ MolecularWeight: 386.4232

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Descriptors Computed from Structure

Canonical SMILES:

C=CN1C=C(C(=O)C2=C1C=C(C=C2)C3C#[N+]CCN3CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C=CN1C=C(C(=O)C2=C1C=C(C=C2)C3C#[N+]CCN3CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C23H19N3O3/c1-2-25-15-19(23(28)29)22(27)18-9-8-17(12-20(18)25)21-13-24-10-11-26(21)14-16-6-4-3-5-7-16/h2-9,12,15,21H,1,10-11,14H2/p+1