[5-(2,5-dimethoxyphenyl)-2-oxidanyl-phenyl]methyl-methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]azanium

Systemtic Name: [5-(2,5-dimethoxyphenyl)-2-oxidanyl-phenyl]methyl-methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]azanium Openeye Name: [5-(2,5-dimethoxyphenyl)-2-hydroxy-phenyl]methyl-methyl-[(3-methylisoxazol-5-yl)methyl]ammonium CAS Name: [5-(2,5-dimethoxyphenyl)-2-hydroxyphenyl]methyl-methyl-[(3-methyl-5-isoxazolyl)methyl]ammonium IUPAC Name: [5-(2,5-dimethoxyphenyl)-2-hydroxyphenyl]methyl-methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]azanium Traditional Name: [5-(2,5-dimethoxyphenyl)-2-hydroxy-benzyl]-methyl-[(3-methylisoxazol-5-yl)methyl]ammonium Formula: C21H25N2O4+ MolecularWeight: 369.4342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)C[NH+](C)CC2=C(C=CC(=C2)C3=C(C=CC(=C3)OC)OC)O

Isomeric SMILES

CC1=NOC(=C1)C[NH+](C)CC2=C(C=CC(=C2)C3=C(C=CC(=C3)OC)OC)O

InChI

InChI=1S/C21H24N2O4/c1-14-9-18(27-22-14)13-23(2)12-16-10-15(5-7-20(16)24)19-11-17(25-3)6-8-21(19)26-4/h5-11,24H,12-13H2,1-4H3/p+1