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

Systemtic Name: 3-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]methyl-(3-pyrazol-1-ylpropanoyl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(1-indan-2-ylpiperidin-1-ium-4-yl)methyl-(3-pyrazol-1-ylpropanoyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[1-(2,3-dihydro-1H-inden-2-yl)-4-piperidin-1-iumyl]methyl-[1-oxo-3-(1-pyrazolyl)propyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]methyl-(3-pyrazol-1-ylpropanoyl)amino]propyl-dimethylazanium Traditional Name: 3-[(1-indan-2-ylpiperidin-1-ium-4-yl)methyl-(3-pyrazol-1-ylpropanoyl)amino]propyl-dimethyl-ammonium Formula: C26H41N5O+2 MolecularWeight: 439.63664

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(CC1CC[NH+](CC1)C2CC3=CC=CC=C3C2)C(=O)CCN4C=CC=N4

Isomeric SMILES

C[NH+](C)CCCN(CC1CC[NH+](CC1)C2CC3=CC=CC=C3C2)C(=O)CCN4C=CC=N4

InChI

InChI=1S/C26H39N5O/c1-28(2)13-6-14-30(26(32)11-18-31-15-5-12-27-31)21-22-9-16-29(17-10-22)25-19-23-7-3-4-8-24(23)20-25/h3-5,7-8,12,15,22,25H,6,9-11,13-14,16-21H2,1-2H3/p+2