4-(1,3-benzodioxol-5-yl)-4-oxidanyl-1-(4-pentan-3-ylpiperazin-1-yl)butan-1-one hydrochloride

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-4-oxidanyl-1-(4-pentan-3-ylpiperazin-1-yl)butan-1-one hydrochloride Openeye Name: 4-(1,3-benzodioxol-5-yl)-1-[4-(1-ethylpropyl)piperazin-1-yl]-4-hydroxy-butan-1-one hydrochloride CAS Name: 4-(1,3-benzodioxol-5-yl)-4-hydroxy-1-(4-pentan-3-yl-1-piperazinyl)-1-butanone hydrochloride IUPAC Name: 4-(1,3-benzodioxol-5-yl)-4-hydroxy-1-(4-pentan-3-ylpiperazin-1-yl)butan-1-one hydrochloride Traditional Name: 4-(1,3-benzodioxol-5-yl)-1-[4-(1-ethylpropyl)piperazino]-4-hydroxy-butan-1-one hydrochloride Formula: C20H31ClN2O4 MolecularWeight: 398.92414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O4.ClH/c1-3-16(4-2)21-9-11-22(12-10-21)20(24)8-6-17(23)15-5-7-18-19(13-15)26-14-25-18;/h5,7,13,16-17,23H,3-4,6,8-12,14H2,1-2H3;1H