[3-[[dimethyl(3-phenoxypropyl)azaniumyl]methyl]-1,2-oxazol-5-yl]-diphenyl-methanolate

Systemtic Name: [3-[[dimethyl(3-phenoxypropyl)azaniumyl]methyl]-1,2-oxazol-5-yl]-diphenyl-methanolate Openeye Name: [3-[[dimethyl(3-phenoxypropyl)ammonio]methyl]isoxazol-5-yl]-diphenyl-methanolate CAS Name: [3-[[dimethyl(3-phenoxypropyl)ammonio]methyl]-5-isoxazolyl]-diphenylmethanolate IUPAC Name: [3-[[dimethyl(3-phenoxypropyl)azaniumyl]methyl]-1,2-oxazol-5-yl]-diphenylmethanolate Traditional Name: [3-[[dimethyl(3-phenoxypropyl)ammonio]methyl]isoxazol-5-yl]-diphenyl-methanolate Formula: C28H30N2O3 MolecularWeight: 442.5494

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCOC1=CC=CC=C1)CC2=NOC(=C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)[O-]

Isomeric SMILES

C[N+](C)(CCCOC1=CC=CC=C1)CC2=NOC(=C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)[O-]

InChI

InChI=1S/C28H30N2O3/c1-30(2,19-12-20-32-26-17-10-5-11-18-26)22-25-21-27(33-29-25)28(31,23-13-6-3-7-14-23)24-15-8-4-9-16-24/h3-11,13-18,21H,12,19-20,22H2,1-2H3