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

Systemtic Name: [3-[[1-[(3-methoxy-4-oxidanyl-phenyl)methyl]piperidin-1-ium-4-yl]carbonylamino]-2,2-dimethyl-propyl]-dimethyl-azanium Openeye Name: [3-[[1-[(4-hydroxy-3-methoxy-phenyl)methyl]piperidin-1-ium-4-carbonyl]amino]-2,2-dimethyl-propyl]-dimethyl-ammonium CAS Name: [3-[[[1-[(4-hydroxy-3-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-oxomethyl]amino]-2,2-dimethylpropyl]-dimethylammonium IUPAC Name: [3-[[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-1-ium-4-carbonyl]amino]-2,2-dimethylpropyl]-dimethylazanium Traditional Name: [2,2-dimethyl-3-[(1-vanillylpiperidin-1-ium-4-carbonyl)amino]propyl]-dimethyl-ammonium Formula: C21H37N3O3+2 MolecularWeight: 379.53678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H35N3O3/c1-21(2,15-23(3)4)14-22-20(26)17-8-10-24(11-9-17)13-16-6-7-18(25)19(12-16)27-5/h6-7,12,17,25H,8-11,13-15H2,1-5H3,(H,22,26)/p+2