2-(4-ethanoyl-3-methyl-phenyl)-1-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone hydrate hydrochloride

Systemtic Name: 2-(4-ethanoyl-3-methyl-phenyl)-1-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone hydrate hydrochloride Openeye Name: 2-(4-acetyl-3-methyl-phenyl)-1-[2-(pyrrolidin-1-ylmethyl)-1-piperidyl]ethanone hydrate hydrochloride CAS Name: 2-(4-acetyl-3-methylphenyl)-1-[2-(1-pyrrolidinylmethyl)-1-piperidinyl]ethanone hydrate hydrochloride IUPAC Name: 2-(4-acetyl-3-methylphenyl)-1-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone hydrate hydrochloride Traditional Name: 2-(4-acetyl-3-methyl-phenyl)-1-[2-(pyrrolidinomethyl)piperidino]ethanone hydrate hydrochloride Formula: C21H33ClN2O3 MolecularWeight: 396.95132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CC(=O)N2CCCCC2CN3CCCC3)C(=O)C.O.Cl

Isomeric SMILES

CC1=C(C=CC(=C1)CC(=O)N2CCCCC2CN3CCCC3)C(=O)C.O.Cl

InChI

InChI=1S/C21H30N2O2.ClH.H2O/c1-16-13-18(8-9-20(16)17(2)24)14-21(25)23-12-4-3-7-19(23)15-22-10-5-6-11-22;;/h8-9,13,19H,3-7,10-12,14-15H2,1-2H3;1H;1H2