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

Systemtic Name: [3-[[1-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperidin-1-ium-4-yl]carbonylamino]-2,2-dimethyl-propyl]-dimethyl-azanium Openeye Name: [3-[[1-[(4-benzyloxy-3-methoxy-phenyl)methyl]piperidin-1-ium-4-carbonyl]amino]-2,2-dimethyl-propyl]-dimethyl-ammonium CAS Name: [3-[[[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-piperidin-1-iumyl]-oxomethyl]amino]-2,2-dimethylpropyl]-dimethylammonium IUPAC Name: [3-[[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-1-ium-4-carbonyl]amino]-2,2-dimethylpropyl]-dimethylazanium Traditional Name: [3-[[1-(4-benzoxy-3-methoxy-benzyl)piperidin-1-ium-4-carbonyl]amino]-2,2-dimethyl-propyl]-dimethyl-ammonium Formula: C28H43N3O3+2 MolecularWeight: 469.65932

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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)OC)C[NH+](C)C

Isomeric SMILES

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

InChI

InChI=1S/C28H41N3O3/c1-28(2,21-30(3)4)20-29-27(32)24-13-15-31(16-14-24)18-23-11-12-25(26(17-23)33-5)34-19-22-9-7-6-8-10-22/h6-12,17,24H,13-16,18-21H2,1-5H3,(H,29,32)/p+2