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

Systemtic Name: N-(5-bromanylpyridin-1-ium-2-yl)-4-(1,3-dimethylpyrazol-4-yl)-7,7-dimethyl-2-methylidene-5-oxidanylidene-3,4,6,8-tetrahydro-1H-quinoline-3-carboxamide Openeye Name: N-(5-bromopyridin-1-ium-2-yl)-4-(1,3-dimethylpyrazol-4-yl)-7,7-dimethyl-2-methylene-5-oxo-3,4,6,8-tetrahydro-1H-quinoline-3-carboxamide CAS Name: N-(5-bromo-2-pyridin-1-iumyl)-4-(1,3-dimethyl-4-pyrazolyl)-7,7-dimethyl-2-methylene-5-oxo-3,4,6,8-tetrahydro-1H-quinoline-3-carboxamide IUPAC Name: N-(5-bromopyridin-1-ium-2-yl)-4-(1,3-dimethylpyrazol-4-yl)-7,7-dimethyl-2-methylidene-5-oxo-3,4,6,8-tetrahydro-1H-quinoline-3-carboxamide Traditional Name: N-(5-bromopyridin-1-ium-2-yl)-4-(1,3-dimethylpyrazol-4-yl)-5-keto-7,7-dimethyl-2-methylene-3,4,6,8-tetrahydro-1H-quinoline-3-carboxamide Formula: C23H27BrN5O2+ MolecularWeight: 485.39678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C2C(C(=C)NC3=C2C(=O)CC(C3)(C)C)C(=O)NC4=[NH+]C=C(C=C4)Br)C

Isomeric SMILES

CC1=NN(C=C1C2C(C(=C)NC3=C2C(=O)CC(C3)(C)C)C(=O)NC4=[NH+]C=C(C=C4)Br)C

InChI

InChI=1S/C23H26BrN5O2/c1-12-15(11-29(5)28-12)20-19(22(31)27-18-7-6-14(24)10-25-18)13(2)26-16-8-23(3,4)9-17(30)21(16)20/h6-7,10-11,19-20,26H,2,8-9H2,1,3-5H3,(H,25,27,31)/p+1