3-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]methyl-(1,3-thiazol-4-ylcarbonyl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]methyl-(1,3-thiazol-4-ylcarbonyl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(1-indan-2-ylpiperidin-1-ium-4-yl)methyl-(thiazole-4-carbonyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[1-(2,3-dihydro-1H-inden-2-yl)-4-piperidin-1-iumyl]methyl-[oxo(4-thiazolyl)methyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]methyl-(1,3-thiazole-4-carbonyl)amino]propyl-dimethylazanium Traditional Name: 3-[(1-indan-2-ylpiperidin-1-ium-4-yl)methyl-(thiazole-4-carbonyl)amino]propyl-dimethyl-ammonium Formula: C24H36N4OS+2 MolecularWeight: 428.63384

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(CC1CC[NH+](CC1)C2CC3=CC=CC=C3C2)C(=O)C4=CSC=N4

Isomeric SMILES

C[NH+](C)CCCN(CC1CC[NH+](CC1)C2CC3=CC=CC=C3C2)C(=O)C4=CSC=N4

InChI

InChI=1S/C24H34N4OS/c1-26(2)10-5-11-28(24(29)23-17-30-18-25-23)16-19-8-12-27(13-9-19)22-14-20-6-3-4-7-21(20)15-22/h3-4,6-7,17-19,22H,5,8-16H2,1-2H3/p+2