propan-2-yl (4R)-2-methyl-4-pyridin-3-yl-4,10-dihydro-1H-pyrimido[1,2-a]benzimidazol-5-ium-3-carboxylate

Systemtic Name: propan-2-yl (4R)-2-methyl-4-pyridin-3-yl-4,10-dihydro-1H-pyrimido[1,2-a]benzimidazol-5-ium-3-carboxylate Openeye Name: isopropyl (4R)-2-methyl-4-(3-pyridyl)-4,10-dihydro-1H-pyrimido[1,2-a]benzimidazol-5-ium-3-carboxylate CAS Name: (4R)-2-methyl-4-(3-pyridinyl)-4,10-dihydro-1H-pyrimido[1,2-a]benzimidazol-5-ium-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl (4R)-2-methyl-4-pyridin-3-yl-4,10-dihydro-1H-pyrimido[1,2-a]benzimidazol-5-ium-3-carboxylate Traditional Name: (4R)-2-methyl-4-(3-pyridyl)-4,10-dihydro-1H-pyrimido[1,2-a]benzimidazol-5-ium-3-carboxylic acid isopropyl ester Formula: C20H21N4O2+ MolecularWeight: 349.40634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C([N+]2=C(N1)NC3=CC=CC=C32)C4=CN=CC=C4)C(=O)OC(C)C

Isomeric SMILES

CC1=C([C@H]([N+]2=C(N1)NC3=CC=CC=C32)C4=CN=CC=C4)C(=O)OC(C)C

InChI

InChI=1S/C20H20N4O2/c1-12(2)26-19(25)17-13(3)22-20-23-15-8-4-5-9-16(15)24(20)18(17)14-7-6-10-21-11-14/h4-12,18H,1-3H3,(H,22,23,25)/p+1/t18-/m1/s1