4-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]-2-methyl-N-(4-methylpyridin-1-ium-2-yl)-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxamide

Systemtic Name: 4-[4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-phenyl]-2-methyl-N-(4-methylpyridin-1-ium-2-yl)-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxamide Openeye Name: 4-[4-(2-amino-2-oxo-ethoxy)-3-methoxy-phenyl]-2-methyl-N-(4-methylpyridin-1-ium-2-yl)-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxamide CAS Name: 4-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-2-methyl-N-(4-methyl-2-pyridin-1-iumyl)-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxamide IUPAC Name: 4-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-2-methyl-N-(4-methylpyridin-1-ium-2-yl)-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxamide Traditional Name: 4-[4-(2-amino-2-keto-ethoxy)-3-methoxy-phenyl]-5-keto-2-methyl-N-(4-methylpyridin-1-ium-2-yl)-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxamide Formula: C26H29N4O5+ MolecularWeight: 477.53226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C=C1)NC(=O)C2=C(NC3=CCCC(=O)C3C2C4=CC(=C(C=C4)OCC(=O)N)OC)C

Isomeric SMILES

CC1=CC(=[NH+]C=C1)NC(=O)C2=C(NC3=CCCC(=O)C3C2C4=CC(=C(C=C4)OCC(=O)N)OC)C

InChI

InChI=1S/C26H28N4O5/c1-14-9-10-28-22(11-14)30-26(33)23-15(2)29-17-5-4-6-18(31)25(17)24(23)16-7-8-19(20(12-16)34-3)35-13-21(27)32/h5,7-12,24-25,29H,4,6,13H2,1-3H3,(H2,27,32)(H,28,30,33)/p+1