3-(1-oxidanidylquinolin-1-ium-3-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid

Systemtic Name: 3-(1-oxidanidylquinolin-1-ium-3-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid Openeye Name: 3-(1-oxidoquinolin-1-ium-3-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid CAS Name: 3-(1-oxido-3-quinolin-1-iumyl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid IUPAC Name: 3-(1-oxidoquinolin-1-ium-3-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)nonanoic acid Traditional Name: 3-(1-oxidoquinolin-1-ium-3-yl)-9-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)pelargonic acid Formula: C26H31N3O3 MolecularWeight: 433.54264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(NC1)N=C(C=C2)CCCCCCC(CC(=O)O)C3=CC4=CC=CC=C4[N+](=C3)[O-]

Isomeric SMILES

C1CC2=C(NC1)N=C(C=C2)CCCCCCC(CC(=O)O)C3=CC4=CC=CC=C4[N+](=C3)[O-]

InChI

InChI=1S/C26H31N3O3/c30-25(31)17-20(22-16-21-9-5-6-12-24(21)29(32)18-22)8-3-1-2-4-11-23-14-13-19-10-7-15-27-26(19)28-23/h5-6,9,12-14,16,18,20H,1-4,7-8,10-11,15,17H2,(H,27,28)(H,30,31)