N-(5-bromanylpyridin-1-ium-2-yl)-4-(1,5-dimethylpyrazol-4-yl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide

Systemtic Name: N-(5-bromanylpyridin-1-ium-2-yl)-4-(1,5-dimethylpyrazol-4-yl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide Openeye Name: N-(5-bromopyridin-1-ium-2-yl)-4-(1,5-dimethylpyrazol-4-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide CAS Name: N-(5-bromo-2-pyridin-1-iumyl)-4-(1,5-dimethyl-4-pyrazolyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide IUPAC Name: N-(5-bromopyridin-1-ium-2-yl)-4-(1,5-dimethylpyrazol-4-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide Traditional Name: N-(5-bromopyridin-1-ium-2-yl)-4-(1,5-dimethylpyrazol-4-yl)-5-keto-2-methyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxamide Formula: C21H23BrN5O2+ MolecularWeight: 457.34362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)CCCC2=O)C3=C(N(N=C3)C)C)C(=O)NC4=[NH+]C=C(C=C4)Br

Isomeric SMILES

CC1=C(C(C2=C(N1)CCCC2=O)C3=C(N(N=C3)C)C)C(=O)NC4=[NH+]C=C(C=C4)Br

InChI

InChI=1S/C21H22BrN5O2/c1-11-18(21(29)26-17-8-7-13(22)9-23-17)19(14-10-24-27(3)12(14)2)20-15(25-11)5-4-6-16(20)28/h7-10,19,25H,4-6H2,1-3H3,(H,23,26,29)/p+1