2-(1,3-benzodioxol-5-yl)-1-(4-pentan-3-ylpiperazin-1-yl)ethanone hydrochloride

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-1-(4-pentan-3-ylpiperazin-1-yl)ethanone hydrochloride Openeye Name: 2-(1,3-benzodioxol-5-yl)-1-[4-(1-ethylpropyl)piperazin-1-yl]ethanone hydrochloride CAS Name: 2-(1,3-benzodioxol-5-yl)-1-(4-pentan-3-yl-1-piperazinyl)ethanone hydrochloride IUPAC Name: 2-(1,3-benzodioxol-5-yl)-1-(4-pentan-3-ylpiperazin-1-yl)ethanone hydrochloride Traditional Name: 2-(1,3-benzodioxol-5-yl)-1-[4-(1-ethylpropyl)piperazino]ethanone hydrochloride Formula: C18H27ClN2O3 MolecularWeight: 354.87158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N1CCN(CC1)C(=O)CC2=CC3=C(C=C2)OCO3.Cl

Isomeric SMILES

CCC(CC)N1CCN(CC1)C(=O)CC2=CC3=C(C=C2)OCO3.Cl

InChI

InChI=1S/C18H26N2O3.ClH/c1-3-15(4-2)19-7-9-20(10-8-19)18(21)12-14-5-6-16-17(11-14)23-13-22-16;/h5-6,11,15H,3-4,7-10,12-13H2,1-2H3;1H