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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CCC=C2N1)C3=CC(=C(C=C3)OC)COC4=CC=CC=C4)C(=O)NC5=[NH+]C=C(C=C5)Br

Isomeric SMILES

CC1=C(C(C2C(=O)CCC=C2N1)C3=CC(=C(C=C3)OC)COC4=CC=CC=C4)C(=O)NC5=[NH+]C=C(C=C5)Br

InChI

InChI=1S/C30H28BrN3O4/c1-18-27(30(36)34-26-14-12-21(31)16-32-26)28(29-23(33-18)9-6-10-24(29)35)19-11-13-25(37-2)20(15-19)17-38-22-7-4-3-5-8-22/h3-5,7-9,11-16,28-29,33H,6,10,17H2,1-2H3,(H,32,34,36)/p+1