3-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-methylidene-1H-quinazolin-2-one

Systemtic Name: 3-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-methylidene-1H-quinazolin-2-one Openeye Name: 3-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-methylene-1H-quinazolin-2-one CAS Name: 3-[(2R)-2-(3,4-dimethoxyphenyl)-2-(4-morpholin-4-iumyl)ethyl]-4-methylene-1H-quinazolin-2-one IUPAC Name: 3-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ium-4-ylethyl]-4-methylidene-1H-quinazolin-2-one Traditional Name: 3-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-methylene-1H-quinazolin-2-one Formula: C23H28N3O4+ MolecularWeight: 410.48612

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CN2C(=C)C3=CC=CC=C3NC2=O)[NH+]4CCOCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H](CN2C(=C)C3=CC=CC=C3NC2=O)[NH+]4CCOCC4)OC

InChI

InChI=1S/C23H27N3O4/c1-16-18-6-4-5-7-19(18)24-23(27)26(16)15-20(25-10-12-30-13-11-25)17-8-9-21(28-2)22(14-17)29-3/h4-9,14,20H,1,10-13,15H2,2-3H3,(H,24,27)/p+1/t20-/m0/s1