(2S)-2-(dimethoxymethyl)-3-phenyl-1,2-dihydropyrimido[4,5-b]quinolin-10-ium-4-one

Systemtic Name: (2S)-2-(dimethoxymethyl)-3-phenyl-1,2-dihydropyrimido[4,5-b]quinolin-10-ium-4-one Openeye Name: (2S)-2-(dimethoxymethyl)-3-phenyl-1,2-dihydropyrimido[4,5-b]quinolin-10-ium-4-one CAS Name: (2S)-2-(dimethoxymethyl)-3-phenyl-1,2-dihydropyrimido[4,5-b]quinolin-10-ium-4-one IUPAC Name: (2S)-2-(dimethoxymethyl)-3-phenyl-1,2-dihydropyrimido[4,5-b]quinolin-10-ium-4-one Traditional Name: (2S)-2-(dimethoxymethyl)-3-phenyl-1,2-dihydropyrimido[4,5-b]quinolin-10-ium-4-one Formula: C20H20N3O3+ MolecularWeight: 350.3911

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Descriptors Computed from Structure

Canonical SMILES:

COC(C1NC2=[NH+]C3=CC=CC=C3C=C2C(=O)N1C4=CC=CC=C4)OC

Isomeric SMILES

COC([C@H]1NC2=[NH+]C3=CC=CC=C3C=C2C(=O)N1C4=CC=CC=C4)OC

InChI

InChI=1S/C20H19N3O3/c1-25-20(26-2)18-22-17-15(12-13-8-6-7-11-16(13)21-17)19(24)23(18)14-9-4-3-5-10-14/h3-12,18,20H,1-2H3,(H,21,22)/p+1/t18-/m0/s1