3-azanyl-2-[2-(4-methoxyphenyl)ethyl]-4aH-quinazolin-3-ium-4-one

Systemtic Name: 3-azanyl-2-[2-(4-methoxyphenyl)ethyl]-4aH-quinazolin-3-ium-4-one Openeye Name: 3-amino-2-[2-(4-methoxyphenyl)ethyl]-4aH-quinazolin-3-ium-4-one CAS Name: 3-amino-2-[2-(4-methoxyphenyl)ethyl]-4aH-quinazolin-3-ium-4-one IUPAC Name: 3-amino-2-[2-(4-methoxyphenyl)ethyl]-4aH-quinazolin-3-ium-4-one Traditional Name: 3-amino-2-[2-(4-methoxyphenyl)ethyl]-4aH-quinazolin-3-ium-4-one Formula: C17H18N3O2+ MolecularWeight: 296.34372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC2=[N+](C(=O)C3C=CC=CC3=N2)N

Isomeric SMILES

COC1=CC=C(C=C1)CCC2=[N+](C(=O)C3C=CC=CC3=N2)N

InChI

InChI=1S/C17H18N3O2/c1-22-13-9-6-12(7-10-13)8-11-16-19-15-5-3-2-4-14(15)17(21)20(16)18/h2-7,9-10,14H,8,11,18H2,1H3/q+1