[2,2-dimethyl-3-[[1-[(3-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-yl]carbonylamino]propyl]-dimethyl-azanium

Systemtic Name: [2,2-dimethyl-3-[[1-[(3-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-yl]carbonylamino]propyl]-dimethyl-azanium Openeye Name: [3-[[1-[(3-benzyloxyphenyl)methyl]piperidin-1-ium-4-carbonyl]amino]-2,2-dimethyl-propyl]-dimethyl-ammonium CAS Name: [2,2-dimethyl-3-[[oxo-[1-[(3-phenylmethoxyphenyl)methyl]-4-piperidin-1-iumyl]methyl]amino]propyl]-dimethylammonium IUPAC Name: [2,2-dimethyl-3-[[1-[(3-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-carbonyl]amino]propyl]-dimethylazanium Traditional Name: [3-[[1-(3-benzoxybenzyl)piperidin-1-ium-4-carbonyl]amino]-2,2-dimethyl-propyl]-dimethyl-ammonium Formula: C27H41N3O2+2 MolecularWeight: 439.63334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C1CC[NH+](CC1)CC2=CC(=CC=C2)OCC3=CC=CC=C3)C[NH+](C)C

Isomeric SMILES

CC(C)(CNC(=O)C1CC[NH+](CC1)CC2=CC(=CC=C2)OCC3=CC=CC=C3)C[NH+](C)C

InChI

InChI=1S/C27H39N3O2/c1-27(2,21-29(3)4)20-28-26(31)24-13-15-30(16-14-24)18-23-11-8-12-25(17-23)32-19-22-9-6-5-7-10-22/h5-12,17,24H,13-16,18-21H2,1-4H3,(H,28,31)/p+2