1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-phenylmethoxy-propane-2-thiol hydrochloride

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-phenylmethoxy-propane-2-thiol hydrochloride Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-benzyloxy-propane-2-thiol hydrochloride CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-phenylmethoxy-2-propanethiol hydrochloride IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-phenylmethoxypropane-2-thiol hydrochloride Traditional Name: 1-benzoxy-3-(4-piperonylpiperazino)propane-2-thiol hydrochloride Formula: C22H29ClN2O3S MolecularWeight: 436.99526

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC(COCC4=CC=CC=C4)S.Cl

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC(COCC4=CC=CC=C4)S.Cl

InChI

InChI=1S/C22H28N2O3S.ClH/c28-20(16-25-15-18-4-2-1-3-5-18)14-24-10-8-23(9-11-24)13-19-6-7-21-22(12-19)27-17-26-21;/h1-7,12,20,28H,8-11,13-17H2;1H