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

Systemtic Name: 3-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]methyl-(3-methylthiophen-2-yl)carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[(1-indan-2-ylpiperidin-1-ium-4-yl)methyl-(3-methylthiophene-2-carbonyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[1-(2,3-dihydro-1H-inden-2-yl)-4-piperidin-1-iumyl]methyl-[(3-methyl-2-thiophenyl)-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]methyl-(3-methylthiophene-2-carbonyl)amino]propyl-dimethylazanium Traditional Name: 3-[(1-indan-2-ylpiperidin-1-ium-4-yl)methyl-(3-methylthiophene-2-carbonyl)amino]propyl-dimethyl-ammonium Formula: C26H39N3OS+2 MolecularWeight: 441.67236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=O)N(CCC[NH+](C)C)CC2CC[NH+](CC2)C3CC4=CC=CC=C4C3

Isomeric SMILES

CC1=C(SC=C1)C(=O)N(CCC[NH+](C)C)CC2CC[NH+](CC2)C3CC4=CC=CC=C4C3

InChI

InChI=1S/C26H37N3OS/c1-20-11-16-31-25(20)26(30)29(13-6-12-27(2)3)19-21-9-14-28(15-10-21)24-17-22-7-4-5-8-23(22)18-24/h4-5,7-8,11,16,21,24H,6,9-10,12-15,17-19H2,1-3H3/p+2