3-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]methyl-(3,5-dimethylphenyl)carbonyl-amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]methyl-(3,5-dimethylphenyl)carbonyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[(3,5-dimethylbenzoyl)-[(1-indan-2-ylpiperidin-1-ium-4-yl)methyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[1-(2,3-dihydro-1H-inden-2-yl)-4-piperidin-1-iumyl]methyl-[(3,5-dimethylphenyl)-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-4-yl]methyl-(3,5-dimethylbenzoyl)amino]propyl-dimethylazanium Traditional Name: 3-[(3,5-dimethylbenzoyl)-[(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:

CC1=CC(=CC(=C1)C(=O)N(CCC[NH+](C)C)CC2CC[NH+](CC2)C3CC4=CC=CC=C4C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)N(CCC[NH+](C)C)CC2CC[NH+](CC2)C3CC4=CC=CC=C4C3)C

InChI

InChI=1S/C29H41N3O/c1-22-16-23(2)18-27(17-22)29(33)32(13-7-12-30(3)4)21-24-10-14-31(15-11-24)28-19-25-8-5-6-9-26(25)20-28/h5-6,8-9,16-18,24,28H,7,10-15,19-21H2,1-4H3/p+2