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

Systemtic Name: 3-[(3S)-1-(3-methylsulfanylpropanoyl)piperidin-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-[(3S)-1-(3-methylsulfanylpropanoyl)-3-piperidyl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-[(3S)-1-[3-(methylthio)-1-oxopropyl]-3-piperidinyl]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[(3S)-1-(3-methylsulfanylpropanoyl)piperidin-3-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-[(3S)-1-[3-(methylthio)propanoyl]-3-piperidyl]-1-(4-pyridin-1-ium-2-ylpiperazino)propan-1-one Formula: C21H33N4O2S+ MolecularWeight: 405.57732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N4O2S/c1-28-16-9-21(27)25-11-4-5-18(17-25)7-8-20(26)24-14-12-23(13-15-24)19-6-2-3-10-22-19/h2-3,6,10,18H,4-5,7-9,11-17H2,1H3/p+1/t18-/m0/s1