(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-methylsulfanyl-butan-2-amine

Systemtic Name: (2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-methylsulfanyl-butan-2-amine Openeye Name: (2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-methylsulfanyl-butan-2-amine CAS Name: (2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-4-(methylthio)-2-butanamine IUPAC Name: (2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-methylsulfanylbutan-2-amine Traditional Name: [(1S)-3-(methylthio)-1-[(4-piperonylpiperazino)methyl]propyl]amine Formula: C17H27N3O2S MolecularWeight: 337.48018

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(CN1CCN(CC1)CC2=CC3=C(C=C2)OCO3)N

Isomeric SMILES

CSCC[C@@H](CN1CCN(CC1)CC2=CC3=C(C=C2)OCO3)N

InChI

InChI=1S/C17H27N3O2S/c1-23-9-4-15(18)12-20-7-5-19(6-8-20)11-14-2-3-16-17(10-14)22-13-21-16/h2-3,10,15H,4-9,11-13,18H2,1H3/t15-/m0/s1