2-[4-(4-methoxyphenyl)-1-oxidanylidene-5,6-dihydropyrazino[1,2-b]isoquinolin-5-ium-2-yl]hexanoic acid

Systemtic Name: 2-[4-(4-methoxyphenyl)-1-oxidanylidene-5,6-dihydropyrazino[1,2-b]isoquinolin-5-ium-2-yl]hexanoic acid Openeye Name: 2-[4-(4-methoxyphenyl)-1-oxo-5,6-dihydropyrazino[1,2-b]isoquinolin-5-ium-2-yl]hexanoic acid CAS Name: 2-[4-(4-methoxyphenyl)-1-oxo-5,6-dihydropyrazino[1,2-b]isoquinolin-5-ium-2-yl]hexanoic acid IUPAC Name: 2-[4-(4-methoxyphenyl)-1-oxo-5,6-dihydropyrazino[1,2-b]isoquinolin-5-ium-2-yl]hexanoic acid Traditional Name: 2-[1-keto-4-(4-methoxyphenyl)-5,6-dihydropyrazin[1,2-b]isoquinolin-5-ium-2-yl]hexanoic acid Formula: C25H27N2O4+ MolecularWeight: 419.49288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)N1C=C([NH+]2CC3=CC=CC=C3C=C2C1=O)C4=CC=C(C=C4)OC

Isomeric SMILES

CCCCC(C(=O)O)N1C=C([NH+]2CC3=CC=CC=C3C=C2C1=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H26N2O4/c1-3-4-9-21(25(29)30)27-16-23(17-10-12-20(31-2)13-11-17)26-15-19-8-6-5-7-18(19)14-22(26)24(27)28/h5-8,10-14,16,21H,3-4,9,15H2,1-2H3,(H,29,30)/p+1