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

Systemtic Name: 3-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]methyl-(3-phenylpropanoyl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(1-indan-2-ylpiperidin-1-ium-4-yl)methyl-(3-phenylpropanoyl)amino]propyl-dimethyl-ammonium CAS Name: 3-[[1-(2,3-dihydro-1H-inden-2-yl)-4-piperidin-1-iumyl]methyl-(1-oxo-3-phenylpropyl)amino]propyl-dimethylammonium IUPAC Name: 3-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]methyl-(3-phenylpropanoyl)amino]propyl-dimethylazanium Traditional Name: 3-[hydrocinnamoyl-[(1-indan-2-ylpiperidin-1-ium-4-yl)methyl]amino]propyl-dimethyl-ammonium Formula: C29H43N3O+2 MolecularWeight: 449.67122

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(CC1CC[NH+](CC1)C2CC3=CC=CC=C3C2)C(=O)CCC4=CC=CC=C4

Isomeric SMILES

C[NH+](C)CCCN(CC1CC[NH+](CC1)C2CC3=CC=CC=C3C2)C(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C29H41N3O/c1-30(2)17-8-18-32(29(33)14-13-24-9-4-3-5-10-24)23-25-15-19-31(20-16-25)28-21-26-11-6-7-12-27(26)22-28/h3-7,9-12,25,28H,8,13-23H2,1-2H3/p+2