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

Systemtic Name: propan-2-yl (4R)-4-(3-hydroxyphenyl)-2-methyl-4,10-dihydro-1H-pyrimido[1,2-a]benzimidazol-5-ium-3-carboxylate Openeye Name: isopropyl (4R)-4-(3-hydroxyphenyl)-2-methyl-4,10-dihydro-1H-pyrimido[1,2-a]benzimidazol-5-ium-3-carboxylate CAS Name: (4R)-4-(3-hydroxyphenyl)-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-hydroxyphenyl)-2-methyl-4,10-dihydro-1H-pyrimido[1,2-a]benzimidazol-5-ium-3-carboxylate Traditional Name: (4R)-4-(3-hydroxyphenyl)-2-methyl-4,10-dihydro-1H-pyrimido[1,2-a]benzimidazol-5-ium-3-carboxylic acid isopropyl ester Formula: C21H22N3O3+ MolecularWeight: 364.41768

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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)O)C(=O)OC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O3/c1-12(2)27-20(26)18-13(3)22-21-23-16-9-4-5-10-17(16)24(21)19(18)14-7-6-8-15(25)11-14/h4-12,19H,1-3H3,(H2,22,23,25,26)/p+1/t19-/m1/s1