2-(4-ethylpiperazin-4-ium-1-yl)-6-(2-methoxyphenyl)-1H-pyrimidin-4-one

Systemtic Name: 2-(4-ethylpiperazin-4-ium-1-yl)-6-(2-methoxyphenyl)-1H-pyrimidin-4-one Openeye Name: 2-(4-ethylpiperazin-4-ium-1-yl)-6-(2-methoxyphenyl)-1H-pyrimidin-4-one CAS Name: 2-(4-ethyl-1-piperazin-4-iumyl)-6-(2-methoxyphenyl)-1H-pyrimidin-4-one IUPAC Name: 2-(4-ethylpiperazin-4-ium-1-yl)-6-(2-methoxyphenyl)-1H-pyrimidin-4-one Traditional Name: 2-(4-ethylpiperazin-4-ium-1-yl)-6-(2-methoxyphenyl)-1H-pyrimidin-4-one Formula: C17H23N4O2+ MolecularWeight: 315.39012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC(=O)C=C(N2)C3=CC=CC=C3OC

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC(=O)C=C(N2)C3=CC=CC=C3OC

InChI

InChI=1S/C17H22N4O2/c1-3-20-8-10-21(11-9-20)17-18-14(12-16(22)19-17)13-6-4-5-7-15(13)23-2/h4-7,12H,3,8-11H2,1-2H3,(H,18,19,22)/p+1