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

Systemtic Name: 3-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]methyl-thiophen-2-ylcarbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[(1-indan-2-ylpiperidin-1-ium-4-yl)methyl-(thiophene-2-carbonyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[1-(2,3-dihydro-1H-inden-2-yl)-4-piperidin-1-iumyl]methyl-[oxo(thiophen-2-yl)methyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]methyl-(thiophene-2-carbonyl)amino]propyl-dimethylazanium Traditional Name: 3-[(1-indan-2-ylpiperidin-1-ium-4-yl)methyl-(2-thenoyl)amino]propyl-dimethyl-ammonium Formula: C25H37N3OS+2 MolecularWeight: 427.64578

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(CC1CC[NH+](CC1)C2CC3=CC=CC=C3C2)C(=O)C4=CC=CS4

Isomeric SMILES

C[NH+](C)CCCN(CC1CC[NH+](CC1)C2CC3=CC=CC=C3C2)C(=O)C4=CC=CS4

InChI

InChI=1S/C25H35N3OS/c1-26(2)12-6-13-28(25(29)24-9-5-16-30-24)19-20-10-14-27(15-11-20)23-17-21-7-3-4-8-22(21)18-23/h3-5,7-9,16,20,23H,6,10-15,17-19H2,1-2H3/p+2