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

Systemtic Name: 3-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]methyl-(3-methylsulfanylpropanoyl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(1-indan-2-ylpiperidin-1-ium-4-yl)methyl-(3-methylsulfanylpropanoyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[1-(2,3-dihydro-1H-inden-2-yl)-4-piperidin-1-iumyl]methyl-[3-(methylthio)-1-oxopropyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]methyl-(3-methylsulfanylpropanoyl)amino]propyl-dimethylazanium Traditional Name: 3-[(1-indan-2-ylpiperidin-1-ium-4-yl)methyl-[3-(methylthio)propanoyl]amino]propyl-dimethyl-ammonium Formula: C24H41N3OS+2 MolecularWeight: 419.66684

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(CC1CC[NH+](CC1)C2CC3=CC=CC=C3C2)C(=O)CCSC

Isomeric SMILES

C[NH+](C)CCCN(CC1CC[NH+](CC1)C2CC3=CC=CC=C3C2)C(=O)CCSC

InChI

InChI=1S/C24H39N3OS/c1-25(2)12-6-13-27(24(28)11-16-29-3)19-20-9-14-26(15-10-20)23-17-21-7-4-5-8-22(21)18-23/h4-5,7-8,20,23H,6,9-19H2,1-3H3/p+2