[5-[[2-(2,6-dimethylphenoxy)pyridin-3-yl]methylcarbamoyl]furan-2-yl]methyl-dimethyl-azanium

Systemtic Name: [5-[[2-(2,6-dimethylphenoxy)pyridin-3-yl]methylcarbamoyl]furan-2-yl]methyl-dimethyl-azanium Openeye Name: [5-[[2-(2,6-dimethylphenoxy)-3-pyridyl]methylcarbamoyl]-2-furyl]methyl-dimethyl-ammonium CAS Name: [5-[[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methylamino]-oxomethyl]-2-furanyl]methyl-dimethylammonium IUPAC Name: [5-[[2-(2,6-dimethylphenoxy)pyridin-3-yl]methylcarbamoyl]furan-2-yl]methyl-dimethylazanium Traditional Name: [5-[[2-(2,6-dimethylphenoxy)-3-pyridyl]methylcarbamoyl]-2-furyl]methyl-dimethyl-ammonium Formula: C22H26N3O3+ MolecularWeight: 380.46014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OC2=C(C=CC=N2)CNC(=O)C3=CC=C(O3)C[NH+](C)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)OC2=C(C=CC=N2)CNC(=O)C3=CC=C(O3)C[NH+](C)C

InChI

InChI=1S/C22H25N3O3/c1-15-7-5-8-16(2)20(15)28-22-17(9-6-12-23-22)13-24-21(26)19-11-10-18(27-19)14-25(3)4/h5-12H,13-14H2,1-4H3,(H,24,26)/p+1