3-[(3R)-1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[(3R)-1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-[(3R)-1-(2-methylsulfanylpyrimidin-4-yl)-3-piperidyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-[(3R)-1-[2-(methylthio)-4-pyrimidinyl]-3-piperidinyl]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[(3R)-1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-[(3R)-1-[2-(methylthio)pyrimidin-4-yl]-3-piperidyl]-1-(4-pyridin-1-ium-2-ylpiperazino)propan-1-one Formula: C22H31N6OS+ MolecularWeight: 427.58614

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=CC(=N1)N2CCCC(C2)CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CSC1=NC=CC(=N1)N2CCC[C@@H](C2)CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C22H30N6OS/c1-30-22-24-11-9-20(25-22)28-12-4-5-18(17-28)7-8-21(29)27-15-13-26(14-16-27)19-6-2-3-10-23-19/h2-3,6,9-11,18H,4-5,7-8,12-17H2,1H3/p+1/t18-/m1/s1