1-[(3S)-3-(chloromethyl)piperidin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone

Systemtic Name: 1-[(3S)-3-(chloromethyl)piperidin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone Openeye Name: 1-[(3S)-3-(chloromethyl)-1-piperidyl]-2-(3,4-dimethoxyphenyl)ethanone CAS Name: 1-[(3S)-3-(chloromethyl)-1-piperidinyl]-2-(3,4-dimethoxyphenyl)ethanone IUPAC Name: 1-[(3S)-3-(chloromethyl)piperidin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone Traditional Name: 1-[(3S)-3-(chloromethyl)piperidino]-2-(3,4-dimethoxyphenyl)ethanone Formula: C16H22ClNO3 MolecularWeight: 311.80378

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)N2CCCC(C2)CCl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)N2CCC[C@@H](C2)CCl)OC

InChI

InChI=1S/C16H22ClNO3/c1-20-14-6-5-12(8-15(14)21-2)9-16(19)18-7-3-4-13(10-17)11-18/h5-6,8,13H,3-4,7,9-11H2,1-2H3/t13-/m1/s1