2-[3-[[(3S)-3-(2-hydroxyethyl)-4-methyl-piperazin-4-ium-1-yl]methyl]phenyl]-6-propyl-1H-pyrimidin-4-one

Systemtic Name: 2-[3-[[(3S)-3-(2-hydroxyethyl)-4-methyl-piperazin-4-ium-1-yl]methyl]phenyl]-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-[3-[[(3S)-3-(2-hydroxyethyl)-4-methyl-piperazin-4-ium-1-yl]methyl]phenyl]-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[3-[[(3S)-3-(2-hydroxyethyl)-4-methyl-1-piperazin-4-iumyl]methyl]phenyl]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[3-[[(3S)-3-(2-hydroxyethyl)-4-methylpiperazin-4-ium-1-yl]methyl]phenyl]-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-[3-[[(3S)-3-(2-hydroxyethyl)-4-methyl-piperazin-4-ium-1-yl]methyl]phenyl]-6-propyl-1H-pyrimidin-4-one Formula: C21H31N4O2+ MolecularWeight: 371.49644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)C2=CC(=CC=C2)CN3CC[NH+](C(C3)CCO)C

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)C2=CC(=CC=C2)CN3CC[NH+]([C@H](C3)CCO)C

InChI

InChI=1S/C21H30N4O2/c1-3-5-18-13-20(27)23-21(22-18)17-7-4-6-16(12-17)14-25-10-9-24(2)19(15-25)8-11-26/h4,6-7,12-13,19,26H,3,5,8-11,14-15H2,1-2H3,(H,22,23,27)/p+1/t19-/m0/s1