[(3S)-3-(bromomethyl)piperidin-1-yl]-(3,4-dimethylphenyl)methanone

Systemtic Name: [(3S)-3-(bromomethyl)piperidin-1-yl]-(3,4-dimethylphenyl)methanone Openeye Name: [(3S)-3-(bromomethyl)-1-piperidyl]-(3,4-dimethylphenyl)methanone CAS Name: [(3S)-3-(bromomethyl)-1-piperidinyl]-(3,4-dimethylphenyl)methanone IUPAC Name: [(3S)-3-(bromomethyl)piperidin-1-yl]-(3,4-dimethylphenyl)methanone Traditional Name: [(3S)-3-(bromomethyl)piperidino]-(3,4-dimethylphenyl)methanone Formula: C15H20BrNO MolecularWeight: 310.2294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCCC(C2)CBr)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCC[C@@H](C2)CBr)C

InChI

InChI=1S/C15H20BrNO/c1-11-5-6-14(8-12(11)2)15(18)17-7-3-4-13(9-16)10-17/h5-6,8,13H,3-4,7,9-10H2,1-2H3/t13-/m1/s1