3-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]methyl-[(5-methyl-1H-pyrazol-3-yl)carbonyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]methyl-[(5-methyl-1H-pyrazol-3-yl)carbonyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[(1-indan-2-ylpiperidin-1-ium-4-yl)methyl-(5-methyl-1H-pyrazole-3-carbonyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[1-(2,3-dihydro-1H-inden-2-yl)-4-piperidin-1-iumyl]methyl-[(5-methyl-1H-pyrazol-3-yl)-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]methyl-(5-methyl-1H-pyrazole-3-carbonyl)amino]propyl-dimethylazanium Traditional Name: 3-[(1-indan-2-ylpiperidin-1-ium-4-yl)methyl-(5-methyl-1H-pyrazole-3-carbonyl)amino]propyl-dimethyl-ammonium Formula: C25H39N5O+2 MolecularWeight: 425.61006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)C(=O)N(CCC[NH+](C)C)CC2CC[NH+](CC2)C3CC4=CC=CC=C4C3

Isomeric SMILES

CC1=CC(=NN1)C(=O)N(CCC[NH+](C)C)CC2CC[NH+](CC2)C3CC4=CC=CC=C4C3

InChI

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