6-methyl-5-prop-2-enyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-1H-pyrimidin-4-one

Systemtic Name: 6-methyl-5-prop-2-enyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-1H-pyrimidin-4-one Openeye Name: 5-allyl-6-methyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-1H-pyrimidin-4-one CAS Name: 6-methyl-5-prop-2-enyl-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1H-pyrimidin-4-one IUPAC Name: 6-methyl-5-prop-2-enyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-1H-pyrimidin-4-one Traditional Name: 5-allyl-6-methyl-2-(4-pyridin-1-ium-2-ylpiperazino)-1H-pyrimidin-4-one Formula: C17H22N5O+ MolecularWeight: 312.38948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)N2CCN(CC2)C3=CC=CC=[NH+]3)CC=C

Isomeric SMILES

CC1=C(C(=O)N=C(N1)N2CCN(CC2)C3=CC=CC=[NH+]3)CC=C

InChI

InChI=1S/C17H21N5O/c1-3-6-14-13(2)19-17(20-16(14)23)22-11-9-21(10-12-22)15-7-4-5-8-18-15/h3-5,7-8H,1,6,9-12H2,2H3,(H,19,20,23)/p+1