3-quinolin-1-ium-3-yl-3-[7-(5,6,7,8-tetrahydro-1,8-naphthyridin-8-ium-2-yl)heptanoylamino]propanoic acid

Systemtic Name: 3-quinolin-1-ium-3-yl-3-[7-(5,6,7,8-tetrahydro-1,8-naphthyridin-8-ium-2-yl)heptanoylamino]propanoic acid Openeye Name: 3-quinolin-1-ium-3-yl-3-[7-(5,6,7,8-tetrahydro-1,8-naphthyridin-8-ium-2-yl)heptanoylamino]propanoic acid CAS Name: 3-[[1-oxo-7-(5,6,7,8-tetrahydro-1,8-naphthyridin-8-ium-2-yl)heptyl]amino]-3-(3-quinolin-1-iumyl)propanoic acid IUPAC Name: 3-quinolin-1-ium-3-yl-3-[7-(5,6,7,8-tetrahydro-1,8-naphthyridin-8-ium-2-yl)heptanoylamino]propanoic acid Traditional Name: 3-quinolin-1-ium-3-yl-3-[7-(5,6,7,8-tetrahydro-1,8-naphthyridin-8-ium-2-yl)heptanoylamino]propionic acid Formula: C27H34N4O3+2 MolecularWeight: 462.58386

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C([NH2+]C1)N=C(C=C2)CCCCCCC(=O)NC(CC(=O)O)C3=CC4=CC=CC=C4[NH+]=C3

Isomeric SMILES

C1CC2=C([NH2+]C1)N=C(C=C2)CCCCCCC(=O)NC(CC(=O)O)C3=CC4=CC=CC=C4[NH+]=C3

InChI

InChI=1S/C27H32N4O3/c32-25(12-4-2-1-3-10-22-14-13-19-9-7-15-28-27(19)30-22)31-24(17-26(33)34)21-16-20-8-5-6-11-23(20)29-18-21/h5-6,8,11,13-14,16,18,24H,1-4,7,9-10,12,15,17H2,(H,28,30)(H,31,32)(H,33,34)/p+2