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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H41N3O/c1-23(25-10-5-4-6-11-25)29(33)32(17-9-16-30(2)3)22-24-14-18-31(19-15-24)28-20-26-12-7-8-13-27(26)21-28/h4-8,10-13,23-24,28H,9,14-22H2,1-3H3/p+2/t23-/m1/s1