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

Systemtic Name: [2,2-dimethyl-3-[[1-[(4-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-yl]carbonylamino]propyl]-dimethyl-azanium Openeye Name: [3-[[1-[(4-benzyloxyphenyl)methyl]piperidin-1-ium-4-carbonyl]amino]-2,2-dimethyl-propyl]-dimethyl-ammonium CAS Name: [2,2-dimethyl-3-[[oxo-[1-[(4-phenylmethoxyphenyl)methyl]-4-piperidin-1-iumyl]methyl]amino]propyl]-dimethylammonium IUPAC Name: [2,2-dimethyl-3-[[1-[(4-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-carbonyl]amino]propyl]-dimethylazanium Traditional Name: [3-[[1-(4-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=C(C=C2)OCC3=CC=CC=C3)C[NH+](C)C

Isomeric SMILES

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

InChI

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