2-methylidene-4-(1-methylpyrazol-4-yl)-N-(4-methylpyridin-1-ium-2-yl)-5-oxidanylidene-1,3,4,6,7,8-hexahydroquinoline-3-carboxamide

Systemtic Name: 2-methylidene-4-(1-methylpyrazol-4-yl)-N-(4-methylpyridin-1-ium-2-yl)-5-oxidanylidene-1,3,4,6,7,8-hexahydroquinoline-3-carboxamide Openeye Name: 2-methylene-4-(1-methylpyrazol-4-yl)-N-(4-methylpyridin-1-ium-2-yl)-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxamide CAS Name: 2-methylene-4-(1-methyl-4-pyrazolyl)-N-(4-methyl-2-pyridin-1-iumyl)-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxamide IUPAC Name: 2-methylidene-4-(1-methylpyrazol-4-yl)-N-(4-methylpyridin-1-ium-2-yl)-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxamide Traditional Name: 5-keto-2-methylene-4-(1-methylpyrazol-4-yl)-N-(4-methylpyridin-1-ium-2-yl)-1,3,4,6,7,8-hexahydroquinoline-3-carboxamide Formula: C21H24N5O2+ MolecularWeight: 378.44756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C=C1)NC(=O)C2C(C3=C(CCCC3=O)NC2=C)C4=CN(N=C4)C

Isomeric SMILES

CC1=CC(=[NH+]C=C1)NC(=O)C2C(C3=C(CCCC3=O)NC2=C)C4=CN(N=C4)C

InChI

InChI=1S/C21H23N5O2/c1-12-7-8-22-17(9-12)25-21(28)18-13(2)24-15-5-4-6-16(27)20(15)19(18)14-10-23-26(3)11-14/h7-11,18-19,24H,2,4-6H2,1,3H3,(H,22,25,28)/p+1