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

Systemtic Name: 2-[1-(cyclopropylmethyl)piperidin-4-yl]-1-(4-dimethylaminophenyl)ethanone bromide hydrate Openeye Name: 2-[1-(cyclopropylmethyl)-4-piperidyl]-1-(4-dimethylaminophenyl)ethanone bromide hydrate CAS Name: 2-[1-(cyclopropylmethyl)-4-piperidinyl]-1-(4-dimethylaminophenyl)ethanone bromide hydrate IUPAC Name: 2-[1-(cyclopropylmethyl)piperidin-4-yl]-1-(4-dimethylaminophenyl)ethanone bromide hydrate Traditional Name: 2-[1-(cyclopropylmethyl)-4-piperidyl]-1-(4-dimethylaminophenyl)ethanone bromide hydrate Formula: C19H30BrN2O2- MolecularWeight: 398.3577

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O.BrH.H2O/c1-20(2)18-7-5-17(6-8-18)19(22)13-15-9-11-21(12-10-15)14-16-3-4-16;;/h5-8,15-16H,3-4,9-14H2,1-2H3;1H;1H2/p-1