3-cyclohexyl-1-[(3S)-3-[5-methyl-2-(2-morpholin-4-ium-4-ylethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one

Systemtic Name: 3-cyclohexyl-1-[(3S)-3-[5-methyl-2-(2-morpholin-4-ium-4-ylethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one Openeye Name: 3-cyclohexyl-1-[(3S)-3-[5-methyl-2-(2-morpholin-4-ium-4-ylethylsulfanyl)pyrimidin-4-yl]-1-piperidyl]propan-1-one CAS Name: 3-cyclohexyl-1-[(3S)-3-[5-methyl-2-[2-(4-morpholin-4-iumyl)ethylthio]-4-pyrimidinyl]-1-piperidinyl]-1-propanone IUPAC Name: 3-cyclohexyl-1-[(3S)-3-[5-methyl-2-(2-morpholin-4-ium-4-ylethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one Traditional Name: 3-cyclohexyl-1-[(3S)-3-[5-methyl-2-(2-morpholin-4-ium-4-ylethylthio)pyrimidin-4-yl]piperidino]propan-1-one Formula: C25H41N4O2S+ MolecularWeight: 461.68364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2CCCN(C2)C(=O)CCC3CCCCC3)SCC[NH+]4CCOCC4

Isomeric SMILES

CC1=CN=C(N=C1[C@H]2CCCN(C2)C(=O)CCC3CCCCC3)SCC[NH+]4CCOCC4

InChI

InChI=1S/C25H40N4O2S/c1-20-18-26-25(32-17-14-28-12-15-31-16-13-28)27-24(20)22-8-5-11-29(19-22)23(30)10-9-21-6-3-2-4-7-21/h18,21-22H,2-17,19H2,1H3/p+1/t22-/m0/s1