1-(4-tert-butylphenyl)-2-[1-(cyclopropylmethyl)piperidin-4-yl]ethanone bromide hydrate

Systemtic Name: 1-(4-tert-butylphenyl)-2-[1-(cyclopropylmethyl)piperidin-4-yl]ethanone bromide hydrate Openeye Name: 1-(4-tert-butylphenyl)-2-[1-(cyclopropylmethyl)-4-piperidyl]ethanone bromide hydrate CAS Name: 1-(4-tert-butylphenyl)-2-[1-(cyclopropylmethyl)-4-piperidinyl]ethanone bromide hydrate IUPAC Name: 1-(4-tert-butylphenyl)-2-[1-(cyclopropylmethyl)piperidin-4-yl]ethanone bromide hydrate Traditional Name: 1-(4-tert-butylphenyl)-2-[1-(cyclopropylmethyl)-4-piperidyl]ethanone bromide hydrate Formula: C21H33BrNO2- MolecularWeight: 411.39622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)CC2CCN(CC2)CC3CC3.O.[Br-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)CC2CCN(CC2)CC3CC3.O.[Br-]

InChI

InChI=1S/C21H31NO.BrH.H2O/c1-21(2,3)19-8-6-18(7-9-19)20(23)14-16-10-12-22(13-11-16)15-17-4-5-17;;/h6-9,16-17H,4-5,10-15H2,1-3H3;1H;1H2/p-1