2-(5-chloranyl-1-benzothiophen-3-yl)-1-[(2R,3S)-3-methyl-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone

Systemtic Name: 2-(5-chloranyl-1-benzothiophen-3-yl)-1-[(2R,3S)-3-methyl-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone Openeye Name: 2-(5-chlorobenzothiophen-3-yl)-1-[(2R,3S)-3-methyl-2-(pyrrolidin-1-ylmethyl)-1-piperidyl]ethanone CAS Name: 2-(5-chloro-1-benzothiophen-3-yl)-1-[(2R,3S)-3-methyl-2-(1-pyrrolidinylmethyl)-1-piperidinyl]ethanone IUPAC Name: 2-(5-chloro-1-benzothiophen-3-yl)-1-[(2R,3S)-3-methyl-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone Traditional Name: 2-(5-chlorobenzothiophen-3-yl)-1-[(2R,3S)-3-methyl-2-(pyrrolidinomethyl)piperidino]ethanone Formula: C21H27ClN2OS MolecularWeight: 390.96988

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1CN2CCCC2)C(=O)CC3=CSC4=C3C=C(C=C4)Cl

Isomeric SMILES

C[C@H]1CCCN([C@H]1CN2CCCC2)C(=O)CC3=CSC4=C3C=C(C=C4)Cl

InChI

InChI=1S/C21H27ClN2OS/c1-15-5-4-10-24(19(15)13-23-8-2-3-9-23)21(25)11-16-14-26-20-7-6-17(22)12-18(16)20/h6-7,12,14-15,19H,2-5,8-11,13H2,1H3/t15-,19-/m0/s1