methyl 4-cyclohexyl-6-methyl-2-pyridin-2-yl-1,4-dihydropyrimidin-3-ium-5-carboxylate

Systemtic Name: methyl 4-cyclohexyl-6-methyl-2-pyridin-2-yl-1,4-dihydropyrimidin-3-ium-5-carboxylate Openeye Name: methyl 4-cyclohexyl-6-methyl-2-(2-pyridyl)-1,4-dihydropyrimidin-3-ium-5-carboxylate CAS Name: 4-cyclohexyl-6-methyl-2-(2-pyridinyl)-1,4-dihydropyrimidin-3-ium-5-carboxylic acid methyl ester IUPAC Name: methyl 4-cyclohexyl-6-methyl-2-pyridin-2-yl-1,4-dihydropyrimidin-3-ium-5-carboxylate Traditional Name: 4-cyclohexyl-6-methyl-2-(2-pyridyl)-1,4-dihydropyrimidin-3-ium-5-carboxylic acid methyl ester Formula: C18H24N3O2+ MolecularWeight: 314.40206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C([NH+]=C(N1)C2=CC=CC=N2)C3CCCCC3)C(=O)OC

Isomeric SMILES

CC1=C(C([NH+]=C(N1)C2=CC=CC=N2)C3CCCCC3)C(=O)OC

InChI

InChI=1S/C18H23N3O2/c1-12-15(18(22)23-2)16(13-8-4-3-5-9-13)21-17(20-12)14-10-6-7-11-19-14/h6-7,10-11,13,16H,3-5,8-9H2,1-2H3,(H,20,21)/p+1