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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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