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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(CC1CC[NH+](CC1)C2CC3=CC=CC=C3C2)C(=O)CN4C=CC=N4

Isomeric SMILES

C[NH+](C)CCCN(CC1CC[NH+](CC1)C2CC3=CC=CC=C3C2)C(=O)CN4C=CC=N4

InChI

InChI=1S/C25H37N5O/c1-27(2)12-6-13-29(25(31)20-30-14-5-11-26-30)19-21-9-15-28(16-10-21)24-17-22-7-3-4-8-23(22)18-24/h3-5,7-8,11,14,21,24H,6,9-10,12-13,15-20H2,1-2H3/p+2