(3S)-1-[(1S,2R)-1-(1-benzothiophen-2-yl)-2-methyl-cyclohexyl]-3-methyl-piperidine

Systemtic Name: (3S)-1-[(1S,2R)-1-(1-benzothiophen-2-yl)-2-methyl-cyclohexyl]-3-methyl-piperidine Openeye Name: (3S)-1-[(1S,2R)-1-(benzothiophen-2-yl)-2-methyl-cyclohexyl]-3-methyl-piperidine CAS Name: (3S)-1-[(1S,2R)-1-(1-benzothiophen-2-yl)-2-methylcyclohexyl]-3-methylpiperidine IUPAC Name: (3S)-1-[(1S,2R)-1-(1-benzothiophen-2-yl)-2-methylcyclohexyl]-3-methylpiperidine Traditional Name: (3S)-1-[(1S,2R)-1-(benzothiophen-2-yl)-2-methyl-cyclohexyl]-3-methyl-piperidine Formula: C21H29NS MolecularWeight: 327.52666

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2(CCCCC2C)C3=CC4=CC=CC=C4S3

Isomeric SMILES

C[C@H]1CCCN(C1)[C@]2(CCCC[C@H]2C)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C21H29NS/c1-16-8-7-13-22(15-16)21(12-6-5-9-17(21)2)20-14-18-10-3-4-11-19(18)23-20/h3-4,10-11,14,16-17H,5-9,12-13,15H2,1-2H3/t16-,17+,21-/m0/s1