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

Systemtic Name: (4-decylpiperazin-4-ium-1-yl)-[(4R)-2-pyridin-1-ium-3-yl-1,3-thiazolidin-3-ium-4-yl]methanone trichloride Openeye Name: (4-decylpiperazin-4-ium-1-yl)-[(4R)-2-pyridin-1-ium-3-ylthiazolidin-3-ium-4-yl]methanone trichloride CAS Name: (4-decyl-1-piperazin-4-iumyl)-[(4R)-2-(3-pyridin-1-iumyl)-4-thiazolidin-3-iumyl]methanone trichloride IUPAC Name: (4-decylpiperazin-4-ium-1-yl)-[(4R)-2-pyridin-1-ium-3-yl-1,3-thiazolidin-3-ium-4-yl]methanone trichloride Traditional Name: (4-decylpiperazin-4-ium-1-yl)-[(4R)-2-pyridin-1-ium-3-ylthiazolidin-3-ium-4-yl]methanone trichloride Formula: C23H41Cl3N4OS MolecularWeight: 528.02184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC[NH+]1CCN(CC1)C(=O)C2CSC([NH2+]2)C3=C[NH+]=CC=C3.[Cl-].[Cl-].[Cl-]

Isomeric SMILES

CCCCCCCCCC[NH+]1CCN(CC1)C(=O)[C@@H]2CSC([NH2+]2)C3=C[NH+]=CC=C3.[Cl-].[Cl-].[Cl-]

InChI

InChI=1S/C23H38N4OS.3ClH/c1-2-3-4-5-6-7-8-9-13-26-14-16-27(17-15-26)23(28)21-19-29-22(25-21)20-11-10-12-24-18-20;;;/h10-12,18,21-22,25H,2-9,13-17,19H2,1H3;3*1H/t21-,22?;;;/m0.../s1