5-ethyl-6-methyl-2-[4-[[4-[(1S)-1-oxidanylpropyl]piperidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one

Systemtic Name: 5-ethyl-6-methyl-2-[4-[[4-[(1S)-1-oxidanylpropyl]piperidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Openeye Name: 5-ethyl-2-[4-[[4-[(1S)-1-hydroxypropyl]piperidin-1-ium-1-yl]methyl]phenyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 5-ethyl-2-[4-[[4-[(1S)-1-hydroxypropyl]-1-piperidin-1-iumyl]methyl]phenyl]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 5-ethyl-2-[4-[[4-[(1S)-1-hydroxypropyl]piperidin-1-ium-1-yl]methyl]phenyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 5-ethyl-2-[4-[[4-[(1S)-1-hydroxypropyl]piperidin-1-ium-1-yl]methyl]phenyl]-6-methyl-1H-pyrimidin-4-one Formula: C22H32N3O2+ MolecularWeight: 370.50838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=NC1=O)C2=CC=C(C=C2)C[NH+]3CCC(CC3)C(CC)O)C

Isomeric SMILES

CCC1=C(NC(=NC1=O)C2=CC=C(C=C2)C[NH+]3CCC(CC3)[C@H](CC)O)C

InChI

InChI=1S/C22H31N3O2/c1-4-19-15(3)23-21(24-22(19)27)18-8-6-16(7-9-18)14-25-12-10-17(11-13-25)20(26)5-2/h6-9,17,20,26H,4-5,10-14H2,1-3H3,(H,23,24,27)/p+1/t20-/m0/s1