(4-phenethylpiperidin-1-yl)-[(4R)-2-pyridin-1-ium-3-yl-1,3-thiazolidin-3-ium-4-yl]methanone dichloride

Systemtic Name: (4-phenethylpiperidin-1-yl)-[(4R)-2-pyridin-1-ium-3-yl-1,3-thiazolidin-3-ium-4-yl]methanone dichloride Openeye Name: (4-phenethyl-1-piperidyl)-[(4R)-2-pyridin-1-ium-3-ylthiazolidin-3-ium-4-yl]methanone dichloride CAS Name: (4-phenethyl-1-piperidinyl)-[(4R)-2-(3-pyridin-1-iumyl)-4-thiazolidin-3-iumyl]methanone dichloride IUPAC Name: (4-phenethylpiperidin-1-yl)-[(4R)-2-pyridin-1-ium-3-yl-1,3-thiazolidin-3-ium-4-yl]methanone dichloride Traditional Name: (4-phenethylpiperidino)-[(4R)-2-pyridin-1-ium-3-ylthiazolidin-3-ium-4-yl]methanone dichloride Formula: C22H29Cl2N3OS MolecularWeight: 454.45616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCC2=CC=CC=C2)C(=O)C3CSC([NH2+]3)C4=C[NH+]=CC=C4.[Cl-].[Cl-]

Isomeric SMILES

C1CN(CCC1CCC2=CC=CC=C2)C(=O)[C@@H]3CSC([NH2+]3)C4=C[NH+]=CC=C4.[Cl-].[Cl-]

InChI

InChI=1S/C22H27N3OS.2ClH/c26-22(20-16-27-21(24-20)19-7-4-12-23-15-19)25-13-10-18(11-14-25)9-8-17-5-2-1-3-6-17;;/h1-7,12,15,18,20-21,24H,8-11,13-14,16H2;2*1H/t20-,21?;;/m0../s1