1-[(3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]piperidin-1-yl]-2-methylsulfanyl-ethanone

Systemtic Name: 1-[(3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]piperidin-1-yl]-2-methylsulfanyl-ethanone Openeye Name: 1-[(3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-1-piperidyl]-2-methylsulfanyl-ethanone CAS Name: 1-[(3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]-1-piperidinyl]-2-(methylthio)ethanone IUPAC Name: 1-[(3S)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]piperidin-1-yl]-2-methylsulfanylethanone Traditional Name: 2-(methylthio)-1-[(3S)-3-(4-piperonylpiperazin-1-ium-1-yl)piperidino]ethanone Formula: C20H30N3O3S+ MolecularWeight: 392.5355

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(=O)N1CCCC(C1)[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CSCC(=O)N1CCC[C@@H](C1)[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H29N3O3S/c1-27-14-20(24)23-6-2-3-17(13-23)22-9-7-21(8-10-22)12-16-4-5-18-19(11-16)26-15-25-18/h4-5,11,17H,2-3,6-10,12-15H2,1H3/p+1/t17-/m0/s1