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

Systemtic Name: 3-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]methyl-(3-pyrazol-1-ylpropyl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(1-indan-2-ylpiperidin-1-ium-4-yl)methyl-(3-pyrazol-1-ylpropyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[1-(2,3-dihydro-1H-inden-2-yl)-4-piperidin-1-iumyl]methyl-[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-ylpropyl)amino]propyl-dimethylazanium Traditional Name: 3-[(1-indan-2-ylpiperidin-1-ium-4-yl)methyl-(3-pyrazol-1-ylpropyl)amino]propyl-dimethyl-ammonium Formula: C26H43N5+2 MolecularWeight: 425.65312

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(CCCN1C=CC=N1)CC2CC[NH+](CC2)C3CC4=CC=CC=C4C3

Isomeric SMILES

C[NH+](C)CCCN(CCCN1C=CC=N1)CC2CC[NH+](CC2)C3CC4=CC=CC=C4C3

InChI

InChI=1S/C26H41N5/c1-28(2)13-6-14-29(15-7-17-31-16-5-12-27-31)22-23-10-18-30(19-11-23)26-20-24-8-3-4-9-25(24)21-26/h3-5,8-9,12,16,23,26H,6-7,10-11,13-15,17-22H2,1-2H3/p+2