2-(4-butoxyphenyl)-1-(4-pentan-3-ylpiperazin-1-yl)ethanone hydrochloride

Systemtic Name: 2-(4-butoxyphenyl)-1-(4-pentan-3-ylpiperazin-1-yl)ethanone hydrochloride Openeye Name: 2-(4-butoxyphenyl)-1-[4-(1-ethylpropyl)piperazin-1-yl]ethanone hydrochloride CAS Name: 2-(4-butoxyphenyl)-1-(4-pentan-3-yl-1-piperazinyl)ethanone hydrochloride IUPAC Name: 2-(4-butoxyphenyl)-1-(4-pentan-3-ylpiperazin-1-yl)ethanone hydrochloride Traditional Name: 2-(4-butoxyphenyl)-1-[4-(1-ethylpropyl)piperazino]ethanone hydrochloride Formula: C21H35ClN2O2 MolecularWeight: 382.9678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)CC(=O)N2CCN(CC2)C(CC)CC.Cl

Isomeric SMILES

CCCCOC1=CC=C(C=C1)CC(=O)N2CCN(CC2)C(CC)CC.Cl

InChI

InChI=1S/C21H34N2O2.ClH/c1-4-7-16-25-20-10-8-18(9-11-20)17-21(24)23-14-12-22(13-15-23)19(5-2)6-3;/h8-11,19H,4-7,12-17H2,1-3H3;1H