2-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[(2R)-2-(2,4-dimethoxyphenyl)-1-pyrrolidin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C21H24N3O3+ MolecularWeight: 366.43356

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2CCC[NH+]2CC3=NC(=O)C4=CC=CC=C4N3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)[C@H]2CCC[NH+]2CC3=NC(=O)C4=CC=CC=C4N3)OC

InChI

InChI=1S/C21H23N3O3/c1-26-14-9-10-16(19(12-14)27-2)18-8-5-11-24(18)13-20-22-17-7-4-3-6-15(17)21(25)23-20/h3-4,6-7,9-10,12,18H,5,8,11,13H2,1-2H3,(H,22,23,25)/p+1/t18-/m1/s1