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

Systemtic Name: 3-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]methyl-[(3S)-1-methylpiperidin-1-ium-3-yl]carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[(1-indan-2-ylpiperidin-1-ium-4-yl)methyl-[(3S)-1-methylpiperidin-1-ium-3-carbonyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[1-(2,3-dihydro-1H-inden-2-yl)-4-piperidin-1-iumyl]methyl-[[(3S)-1-methyl-3-piperidin-1-iumyl]-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]methyl-[(3S)-1-methylpiperidin-1-ium-3-carbonyl]amino]propyl-dimethylazanium Traditional Name: 3-[(1-indan-2-ylpiperidin-1-ium-4-yl)methyl-[(3S)-1-methylpiperidin-1-ium-3-carbonyl]amino]propyl-dimethyl-ammonium Formula: C27H47N4O+3 MolecularWeight: 443.68828

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC(C1)C(=O)N(CCC[NH+](C)C)CC2CC[NH+](CC2)C3CC4=CC=CC=C4C3

Isomeric SMILES

C[NH+]1CCC[C@@H](C1)C(=O)N(CCC[NH+](C)C)CC2CC[NH+](CC2)C3CC4=CC=CC=C4C3

InChI

InChI=1S/C27H44N4O/c1-28(2)13-7-15-31(27(32)25-10-6-14-29(3)21-25)20-22-11-16-30(17-12-22)26-18-23-8-4-5-9-24(23)19-26/h4-5,8-9,22,25-26H,6-7,10-21H2,1-3H3/p+3/t25-/m0/s1