7-chloranyl-2-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]quinazolin-4-olate

Systemtic Name: 7-chloranyl-2-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]quinazolin-4-olate Openeye Name: 7-chloro-2-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]quinazolin-4-olate CAS Name: 7-chloro-2-[[(2R)-2-(2,5-dimethoxyphenyl)-1-pyrrolidin-1-iumyl]methyl]-4-quinazolinolate IUPAC Name: 7-chloro-2-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]quinazolin-4-olate Traditional Name: 7-chloro-2-[[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]quinazolin-4-olate Formula: C21H22ClN3O3 MolecularWeight: 399.87068

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2CCC[NH+]2CC3=NC4=C(C=CC(=C4)Cl)C(=N3)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)OC)[C@H]2CCC[NH+]2CC3=NC4=C(C=CC(=C4)Cl)C(=N3)[O-]

InChI

InChI=1S/C21H22ClN3O3/c1-27-14-6-8-19(28-2)16(11-14)18-4-3-9-25(18)12-20-23-17-10-13(22)5-7-15(17)21(26)24-20/h5-8,10-11,18H,3-4,9,12H2,1-2H3,(H,23,24,26)/t18-/m1/s1