2-[[4-(1-ethoxy-2-methyl-1-oxidanylidene-propan-2-yl)oxy-3,5-dimethyl-phenyl]methyl-(1,3-oxazol-2-ylmethyl)amino]ethanoyl-oxidanylidene-phenethyl-azanium

Systemtic Name: 2-[[4-(1-ethoxy-2-methyl-1-oxidanylidene-propan-2-yl)oxy-3,5-dimethyl-phenyl]methyl-(1,3-oxazol-2-ylmethyl)amino]ethanoyl-oxidanylidene-phenethyl-azanium Openeye Name: [2-[[4-(2-ethoxy-1,1-dimethyl-2-oxo-ethoxy)-3,5-dimethyl-phenyl]methyl-(oxazol-2-ylmethyl)amino]acetyl]-oxo-phenethyl-ammonium CAS Name: [2-[[4-(1-ethoxy-2-methyl-1-oxopropan-2-yl)oxy-3,5-dimethylphenyl]methyl-(2-oxazolylmethyl)amino]-1-oxoethyl]-oxo-phenethylammonium IUPAC Name: [2-[[4-(1-ethoxy-2-methyl-1-oxopropan-2-yl)oxy-3,5-dimethylphenyl]methyl-(1,3-oxazol-2-ylmethyl)amino]acetyl]-oxo-phenethylazanium Traditional Name: [2-[[4-(2-ethoxy-2-keto-1,1-dimethyl-ethoxy)-3,5-dimethyl-benzyl]-(oxazol-2-ylmethyl)amino]acetyl]-keto-phenethyl-ammonium Formula: C29H36N3O6+ MolecularWeight: 522.61264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)OC1=C(C=C(C=C1C)CN(CC2=NC=CO2)CC(=O)[N+](=O)CCC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C(C)(C)OC1=C(C=C(C=C1C)CN(CC2=NC=CO2)CC(=O)[N+](=O)CCC3=CC=CC=C3)C

InChI

InChI=1S/C29H36N3O6/c1-6-36-28(34)29(4,5)38-27-21(2)16-24(17-22(27)3)18-31(19-25-30-13-15-37-25)20-26(33)32(35)14-12-23-10-8-7-9-11-23/h7-11,13,15-17H,6,12,14,18-20H2,1-5H3/q+1