1-[4-(2-spiro[5.5]undecan-9-ylphenyl)piperazin-1-yl]butan-2-one hydrochloride

Systemtic Name: 1-[4-(2-spiro[5.5]undecan-9-ylphenyl)piperazin-1-yl]butan-2-one hydrochloride Openeye Name: 1-[4-(2-spiro[5.5]undecan-9-ylphenyl)piperazin-1-yl]butan-2-one hydrochloride CAS Name: 1-[4-[2-(9-spiro[5.5]undecanyl)phenyl]-1-piperazinyl]-2-butanone hydrochloride IUPAC Name: 1-[4-(2-spiro[5.5]undecan-9-ylphenyl)piperazin-1-yl]butan-2-one hydrochloride Traditional Name: 1-[4-(2-spiro[5.5]undecan-9-ylphenyl)piperazino]butan-2-one hydrochloride Formula: C25H39ClN2O MolecularWeight: 419.04296

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CN1CCN(CC1)C2=CC=CC=C2C3CCC4(CCCCC4)CC3.Cl

Isomeric SMILES

CCC(=O)CN1CCN(CC1)C2=CC=CC=C2C3CCC4(CCCCC4)CC3.Cl

InChI

InChI=1S/C25H38N2O.ClH/c1-2-22(28)20-26-16-18-27(19-17-26)24-9-5-4-8-23(24)21-10-14-25(15-11-21)12-6-3-7-13-25;/h4-5,8-9,21H,2-3,6-7,10-20H2,1H3;1H