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

Systemtic Name: 3-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]methyl-(2-phenylethanoyl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(1-indan-2-ylpiperidin-1-ium-4-yl)methyl-(2-phenylacetyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[1-(2,3-dihydro-1H-inden-2-yl)-4-piperidin-1-iumyl]methyl-(1-oxo-2-phenylethyl)amino]propyl-dimethylammonium IUPAC Name: 3-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]methyl-(2-phenylacetyl)amino]propyl-dimethylazanium Traditional Name: 3-[(1-indan-2-ylpiperidin-1-ium-4-yl)methyl-(2-phenylacetyl)amino]propyl-dimethyl-ammonium Formula: C28H41N3O+2 MolecularWeight: 435.64464

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(CC1CC[NH+](CC1)C2CC3=CC=CC=C3C2)C(=O)CC4=CC=CC=C4

Isomeric SMILES

C[NH+](C)CCCN(CC1CC[NH+](CC1)C2CC3=CC=CC=C3C2)C(=O)CC4=CC=CC=C4

InChI

InChI=1S/C28H39N3O/c1-29(2)15-8-16-31(28(32)19-23-9-4-3-5-10-23)22-24-13-17-30(18-14-24)27-20-25-11-6-7-12-26(25)21-27/h3-7,9-12,24,27H,8,13-22H2,1-2H3/p+2