1-(1,3-benzodioxol-5-ylmethoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol dihydrochloride

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol dihydrochloride Openeye Name: 1-(1,3-benzodioxol-5-ylmethoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol dihydrochloride CAS Name: 1-(1,3-benzodioxol-5-ylmethoxy)-3-(4-phenyl-1-piperazinyl)-2-propanol dihydrochloride IUPAC Name: 1-(1,3-benzodioxol-5-ylmethoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol dihydrochloride Traditional Name: 1-(4-phenylpiperazino)-3-piperonyloxy-propan-2-ol dihydrochloride Formula: C21H28Cl2N2O4 MolecularWeight: 443.36402

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(COCC2=CC3=C(C=C2)OCO3)O)C4=CC=CC=C4.Cl.Cl

Isomeric SMILES

C1CN(CCN1CC(COCC2=CC3=C(C=C2)OCO3)O)C4=CC=CC=C4.Cl.Cl

InChI

InChI=1S/C21H26N2O4.2ClH/c24-19(15-25-14-17-6-7-20-21(12-17)27-16-26-20)13-22-8-10-23(11-9-22)18-4-2-1-3-5-18;;/h1-7,12,19,24H,8-11,13-16H2;2*1H