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

Systemtic Name: 3-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]methyl-(2-phenoxyethanoyl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(1-indan-2-ylpiperidin-1-ium-4-yl)methyl-(2-phenoxyacetyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[1-(2,3-dihydro-1H-inden-2-yl)-4-piperidin-1-iumyl]methyl-(1-oxo-2-phenoxyethyl)amino]propyl-dimethylammonium IUPAC Name: 3-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]methyl-(2-phenoxyacetyl)amino]propyl-dimethylazanium Traditional Name: 3-[(1-indan-2-ylpiperidin-1-ium-4-yl)methyl-(2-phenoxyacetyl)amino]propyl-dimethyl-ammonium Formula: C28H41N3O2+2 MolecularWeight: 451.64404

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)COC4=CC=CC=C4

Isomeric SMILES

C[NH+](C)CCCN(CC1CC[NH+](CC1)C2CC3=CC=CC=C3C2)C(=O)COC4=CC=CC=C4

InChI

InChI=1S/C28H39N3O2/c1-29(2)15-8-16-31(28(32)22-33-27-11-4-3-5-12-27)21-23-13-17-30(18-14-23)26-19-24-9-6-7-10-25(24)20-26/h3-7,9-12,23,26H,8,13-22H2,1-2H3/p+2