3-(2,4-dimethoxyphenyl)-2-(morpholin-4-ylmethyl)-4aH-quinazolin-3-ium-4-one

Systemtic Name: 3-(2,4-dimethoxyphenyl)-2-(morpholin-4-ylmethyl)-4aH-quinazolin-3-ium-4-one Openeye Name: 3-(2,4-dimethoxyphenyl)-2-(morpholinomethyl)-4aH-quinazolin-3-ium-4-one CAS Name: 3-(2,4-dimethoxyphenyl)-2-(4-morpholinylmethyl)-4aH-quinazolin-3-ium-4-one IUPAC Name: 3-(2,4-dimethoxyphenyl)-2-(morpholin-4-ylmethyl)-4aH-quinazolin-3-ium-4-one Traditional Name: 3-(2,4-dimethoxyphenyl)-2-(morpholinomethyl)-4aH-quinazolin-3-ium-4-one Formula: C21H24N3O4+ MolecularWeight: 382.43296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)[N+]2=C(N=C3C=CC=CC3C2=O)CN4CCOCC4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)[N+]2=C(N=C3C=CC=CC3C2=O)CN4CCOCC4)OC

InChI

InChI=1S/C21H24N3O4/c1-26-15-7-8-18(19(13-15)27-2)24-20(14-23-9-11-28-12-10-23)22-17-6-4-3-5-16(17)21(24)25/h3-8,13,16H,9-12,14H2,1-2H3/q+1