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

Systemtic Name: 3-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]methyl-thiophen-3-ylcarbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[(1-indan-2-ylpiperidin-1-ium-4-yl)methyl-(thiophene-3-carbonyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[1-(2,3-dihydro-1H-inden-2-yl)-4-piperidin-1-iumyl]methyl-[oxo(3-thiophenyl)methyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]methyl-(thiophene-3-carbonyl)amino]propyl-dimethylazanium Traditional Name: 3-[(1-indan-2-ylpiperidin-1-ium-4-yl)methyl-(3-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=CSC=C4

Isomeric SMILES

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

InChI

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