2-[2-(3-methoxyphenyl)ethyl]-3-(2-phenylaziridin-1-yl)-4aH-quinazolin-3-ium-4-one

Systemtic Name: 2-[2-(3-methoxyphenyl)ethyl]-3-(2-phenylaziridin-1-yl)-4aH-quinazolin-3-ium-4-one Openeye Name: 2-[2-(3-methoxyphenyl)ethyl]-3-(2-phenylaziridin-1-yl)-4aH-quinazolin-3-ium-4-one CAS Name: 2-[2-(3-methoxyphenyl)ethyl]-3-(2-phenyl-1-aziridinyl)-4aH-quinazolin-3-ium-4-one IUPAC Name: 2-[2-(3-methoxyphenyl)ethyl]-3-(2-phenylaziridin-1-yl)-4aH-quinazolin-3-ium-4-one Traditional Name: 2-[2-(3-methoxyphenyl)ethyl]-3-(2-phenylethylenimin-1-yl)-4aH-quinazolin-3-ium-4-one Formula: C25H24N3O2+ MolecularWeight: 398.47696

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CCC2=[N+](C(=O)C3C=CC=CC3=N2)N4CC4C5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1)CCC2=[N+](C(=O)C3C=CC=CC3=N2)N4CC4C5=CC=CC=C5

InChI

InChI=1S/C25H24N3O2/c1-30-20-11-7-8-18(16-20)14-15-24-26-22-13-6-5-12-21(22)25(29)28(24)27-17-23(27)19-9-3-2-4-10-19/h2-13,16,21,23H,14-15,17H2,1H3/q+1