3-(4-methoxyphenyl)-2-[[2-(4-methylphenyl)ethylamino]methyl]-4aH-quinazolin-3-ium-4-one

Systemtic Name: 3-(4-methoxyphenyl)-2-[[2-(4-methylphenyl)ethylamino]methyl]-4aH-quinazolin-3-ium-4-one Openeye Name: 3-(4-methoxyphenyl)-2-[[2-(p-tolyl)ethylamino]methyl]-4aH-quinazolin-3-ium-4-one CAS Name: 3-(4-methoxyphenyl)-2-[[2-(4-methylphenyl)ethylamino]methyl]-4aH-quinazolin-3-ium-4-one IUPAC Name: 3-(4-methoxyphenyl)-2-[[2-(4-methylphenyl)ethylamino]methyl]-4aH-quinazolin-3-ium-4-one Traditional Name: 3-(4-methoxyphenyl)-2-[[2-(p-tolyl)ethylamino]methyl]-4aH-quinazolin-3-ium-4-one Formula: C25H26N3O2+ MolecularWeight: 400.49284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCNCC2=[N+](C(=O)C3C=CC=CC3=N2)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)CCNCC2=[N+](C(=O)C3C=CC=CC3=N2)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H26N3O2/c1-18-7-9-19(10-8-18)15-16-26-17-24-27-23-6-4-3-5-22(23)25(29)28(24)20-11-13-21(30-2)14-12-20/h3-14,22,26H,15-17H2,1-2H3/q+1