N-(5-bromanylpyridin-1-ium-2-yl)-4-(2,4-dimethoxyphenyl)-2-methyl-5-oxidanylidene-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxamide

Systemtic Name: N-(5-bromanylpyridin-1-ium-2-yl)-4-(2,4-dimethoxyphenyl)-2-methyl-5-oxidanylidene-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxamide Openeye Name: N-(5-bromopyridin-1-ium-2-yl)-4-(2,4-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxamide CAS Name: N-(5-bromo-2-pyridin-1-iumyl)-4-(2,4-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxamide IUPAC Name: N-(5-bromopyridin-1-ium-2-yl)-4-(2,4-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxamide Traditional Name: N-(5-bromopyridin-1-ium-2-yl)-4-(2,4-dimethoxyphenyl)-5-keto-2-methyl-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxamide Formula: C30H29BrN3O4+ MolecularWeight: 575.47296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CC(C=C2N1)C3=CC=CC=C3)C4=C(C=C(C=C4)OC)OC)C(=O)NC5=[NH+]C=C(C=C5)Br

Isomeric SMILES

CC1=C(C(C2C(=O)CC(C=C2N1)C3=CC=CC=C3)C4=C(C=C(C=C4)OC)OC)C(=O)NC5=[NH+]C=C(C=C5)Br

InChI

InChI=1S/C30H28BrN3O4/c1-17-27(30(36)34-26-12-9-20(31)16-32-26)28(22-11-10-21(37-2)15-25(22)38-3)29-23(33-17)13-19(14-24(29)35)18-7-5-4-6-8-18/h4-13,15-16,19,28-29,33H,14H2,1-3H3,(H,32,34,36)/p+1