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

Systemtic Name: 3-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]methyl-(2-methylpyrazol-3-yl)carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[(1-indan-2-ylpiperidin-1-ium-4-yl)methyl-(2-methylpyrazole-3-carbonyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[1-(2,3-dihydro-1H-inden-2-yl)-4-piperidin-1-iumyl]methyl-[(2-methyl-3-pyrazolyl)-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]methyl-(2-methylpyrazole-3-carbonyl)amino]propyl-dimethylazanium Traditional Name: 3-[(1-indan-2-ylpiperidin-1-ium-4-yl)methyl-(2-methylpyrazole-3-carbonyl)amino]propyl-dimethyl-ammonium Formula: C25H39N5O+2 MolecularWeight: 425.61006

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=N1)C(=O)N(CCC[NH+](C)C)CC2CC[NH+](CC2)C3CC4=CC=CC=C4C3

Isomeric SMILES

CN1C(=CC=N1)C(=O)N(CCC[NH+](C)C)CC2CC[NH+](CC2)C3CC4=CC=CC=C4C3

InChI

InChI=1S/C25H37N5O/c1-27(2)13-6-14-30(25(31)24-9-12-26-28(24)3)19-20-10-15-29(16-11-20)23-17-21-7-4-5-8-22(21)18-23/h4-5,7-9,12,20,23H,6,10-11,13-19H2,1-3H3/p+2