1-(1,3-benzodioxol-5-ylmethyl)-4-[1-(3-methylsulfanylpropyl)piperidin-3-yl]piperazine

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[1-(3-methylsulfanylpropyl)piperidin-3-yl]piperazine Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[1-(3-methylsulfanylpropyl)-3-piperidyl]piperazine CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[1-[3-(methylthio)propyl]-3-piperidinyl]piperazine IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[1-(3-methylsulfanylpropyl)piperidin-3-yl]piperazine Traditional Name: 1-[1-[3-(methylthio)propyl]-3-piperidyl]-4-piperonyl-piperazine Formula: C21H33N3O2S MolecularWeight: 391.57062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCCN1CCCC(C1)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CSCCCN1CCCC(C1)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H33N3O2S/c1-27-13-3-8-22-7-2-4-19(16-22)24-11-9-23(10-12-24)15-18-5-6-20-21(14-18)26-17-25-20/h5-6,14,19H,2-4,7-13,15-17H2,1H3