4-[3-[(2-aminocarbonylphenoxy)methyl]-4-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-[3-[(2-aminocarbonylphenoxy)methyl]-4-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-[3-[(2-carbamoylphenoxy)methyl]-4-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-[3-[(2-carbamoylphenoxy)methyl]-4-methoxyphenyl]-2-methyl-N-(4-methyl-2-pyridin-1-iumyl)-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxamide IUPAC Name: 4-[3-[(2-carbamoylphenoxy)methyl]-4-methoxyphenyl]-2-methyl-N-(4-methylpyridin-1-ium-2-yl)-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxamide Traditional Name: 4-[3-[(2-carbamoylphenoxy)methyl]-4-methoxy-phenyl]-5-keto-2-methyl-N-(4-methylpyridin-1-ium-2-yl)-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxamide Formula: C32H33N4O5+ MolecularWeight: 553.62822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C=C1)NC(=O)C2=C(NC3=CCCC(=O)C3C2C4=CC(=C(C=C4)OC)COC5=CC=CC=C5C(=O)N)C

Isomeric SMILES

CC1=CC(=[NH+]C=C1)NC(=O)C2=C(NC3=CCCC(=O)C3C2C4=CC(=C(C=C4)OC)COC5=CC=CC=C5C(=O)N)C

InChI

InChI=1S/C32H32N4O5/c1-18-13-14-34-27(15-18)36-32(39)28-19(2)35-23-8-6-9-24(37)30(23)29(28)20-11-12-25(40-3)21(16-20)17-41-26-10-5-4-7-22(26)31(33)38/h4-5,7-8,10-16,29-30,35H,6,9,17H2,1-3H3,(H2,33,38)(H,34,36,39)/p+1