2-[(4-ethylpiperazin-1-yl)methyl]-3-(4-fluorophenyl)-4aH-quinazolin-3-ium-4-one

Systemtic Name: 2-[(4-ethylpiperazin-1-yl)methyl]-3-(4-fluorophenyl)-4aH-quinazolin-3-ium-4-one Openeye Name: 2-[(4-ethylpiperazin-1-yl)methyl]-3-(4-fluorophenyl)-4aH-quinazolin-3-ium-4-one CAS Name: 2-[(4-ethyl-1-piperazinyl)methyl]-3-(4-fluorophenyl)-4aH-quinazolin-3-ium-4-one IUPAC Name: 2-[(4-ethylpiperazin-1-yl)methyl]-3-(4-fluorophenyl)-4aH-quinazolin-3-ium-4-one Traditional Name: 2-[(4-ethylpiperazino)methyl]-3-(4-fluorophenyl)-4aH-quinazolin-3-ium-4-one Formula: C21H24FN4O+ MolecularWeight: 367.439863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=[N+](C(=O)C3C=CC=CC3=N2)C4=CC=C(C=C4)F

Isomeric SMILES

CCN1CCN(CC1)CC2=[N+](C(=O)C3C=CC=CC3=N2)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H24FN4O/c1-2-24-11-13-25(14-12-24)15-20-23-19-6-4-3-5-18(19)21(27)26(20)17-9-7-16(22)8-10-17/h3-10,18H,2,11-15H2,1H3/q+1