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

Systemtic Name: 3-[(3S)-1-(2-methylsulfanylethanoyl)piperidin-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-[(3S)-1-(2-methylsulfanylacetyl)-3-piperidyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-[(3S)-1-[2-(methylthio)-1-oxoethyl]-3-piperidinyl]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[(3S)-1-(2-methylsulfanylacetyl)piperidin-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-[(3S)-1-[2-(methylthio)acetyl]-3-piperidyl]-1-(4-pyridin-1-ium-2-ylpiperazino)propan-1-one Formula: C20H31N4O2S+ MolecularWeight: 391.55074

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(=O)N1CCCC(C1)CCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CSCC(=O)N1CCC[C@H](C1)CCC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C20H30N4O2S/c1-27-16-20(26)24-10-4-5-17(15-24)7-8-19(25)23-13-11-22(12-14-23)18-6-2-3-9-21-18/h2-3,6,9,17H,4-5,7-8,10-16H2,1H3/p+1/t17-/m0/s1