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

Systemtic Name: propan-2-yl (4R)-4-(3-methoxyphenyl)-2-methyl-4,10-dihydro-1H-pyrimido[1,2-a]benzimidazol-5-ium-3-carboxylate Openeye Name: isopropyl (4R)-4-(3-methoxyphenyl)-2-methyl-4,10-dihydro-1H-pyrimido[1,2-a]benzimidazol-5-ium-3-carboxylate CAS Name: (4R)-4-(3-methoxyphenyl)-2-methyl-4,10-dihydro-1H-pyrimido[1,2-a]benzimidazol-5-ium-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl (4R)-4-(3-methoxyphenyl)-2-methyl-4,10-dihydro-1H-pyrimido[1,2-a]benzimidazol-5-ium-3-carboxylate Traditional Name: (4R)-4-(3-methoxyphenyl)-2-methyl-4,10-dihydro-1H-pyrimido[1,2-a]benzimidazol-5-ium-3-carboxylic acid isopropyl ester Formula: C22H24N3O3+ MolecularWeight: 378.44426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O3/c1-13(2)28-21(26)19-14(3)23-22-24-17-10-5-6-11-18(17)25(22)20(19)15-8-7-9-16(12-15)27-4/h5-13,20H,1-4H3,(H,23,24,26)/p+1/t20-/m1/s1