(2S,3R,6S)-3-methyl-2-[(S)-phenyl(piperidin-1-yl)methyl]-6-propan-2-yl-cyclohexan-1-one

Systemtic Name: (2S,3R,6S)-3-methyl-2-[(S)-phenyl(piperidin-1-yl)methyl]-6-propan-2-yl-cyclohexan-1-one Openeye Name: (2S,3R,6S)-6-isopropyl-3-methyl-2-[(S)-phenyl(1-piperidyl)methyl]cyclohexanone CAS Name: (2S,3R,6S)-3-methyl-2-[(S)-phenyl(1-piperidinyl)methyl]-6-propan-2-yl-1-cyclohexanone IUPAC Name: (2S,3R,6S)-3-methyl-2-[(S)-phenyl(piperidin-1-yl)methyl]-6-propan-2-ylcyclohexan-1-one Traditional Name: (2S,3R,6S)-6-isopropyl-3-methyl-2-[(S)-phenyl(piperidino)methyl]cyclohexanone Formula: C22H33NO MolecularWeight: 327.50352

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(=O)C1C(C2=CC=CC=C2)N3CCCCC3)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H](C(=O)[C@@H]1[C@@H](C2=CC=CC=C2)N3CCCCC3)C(C)C

InChI

InChI=1S/C22H33NO/c1-16(2)19-13-12-17(3)20(22(19)24)21(18-10-6-4-7-11-18)23-14-8-5-9-15-23/h4,6-7,10-11,16-17,19-21H,5,8-9,12-15H2,1-3H3/t17-,19+,20+,21-/m1/s1