1-(4-bromanyl-2-chloranyl-phenyl)-7,7-dimethyl-4-pyridin-1-ium-3-yl-3,4,6,8-tetrahydroquinoline-2,5-dione

Systemtic Name: 1-(4-bromanyl-2-chloranyl-phenyl)-7,7-dimethyl-4-pyridin-1-ium-3-yl-3,4,6,8-tetrahydroquinoline-2,5-dione Openeye Name: 1-(4-bromo-2-chloro-phenyl)-7,7-dimethyl-4-pyridin-1-ium-3-yl-3,4,6,8-tetrahydroquinoline-2,5-dione CAS Name: 1-(4-bromo-2-chlorophenyl)-7,7-dimethyl-4-(3-pyridin-1-iumyl)-3,4,6,8-tetrahydroquinoline-2,5-dione IUPAC Name: 1-(4-bromo-2-chlorophenyl)-7,7-dimethyl-4-pyridin-1-ium-3-yl-3,4,6,8-tetrahydroquinoline-2,5-dione Traditional Name: 1-(4-bromo-2-chloro-phenyl)-7,7-dimethyl-4-pyridin-1-ium-3-yl-3,4,6,8-tetrahydroquinoline-2,5-quinone Formula: C22H21BrClN2O2+ MolecularWeight: 460.77134

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(CC(=O)N2C3=C(C=C(C=C3)Br)Cl)C4=C[NH+]=CC=C4)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(CC(=O)N2C3=C(C=C(C=C3)Br)Cl)C4=C[NH+]=CC=C4)C(=O)C1)C

InChI

InChI=1S/C22H20BrClN2O2/c1-22(2)10-18-21(19(27)11-22)15(13-4-3-7-25-12-13)9-20(28)26(18)17-6-5-14(23)8-16(17)24/h3-8,12,15H,9-11H2,1-2H3/p+1