[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxidanylidene-ethyl]-cyclopropyl-[(4-methoxyphenyl)methyl]azanium

Systemtic Name: [2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxidanylidene-ethyl]-cyclopropyl-[(4-methoxyphenyl)methyl]azanium Openeye Name: [2-[(3-tert-butylisoxazol-5-yl)amino]-2-oxo-ethyl]-cyclopropyl-[(4-methoxyphenyl)methyl]ammonium CAS Name: [2-[(3-tert-butyl-5-isoxazolyl)amino]-2-oxoethyl]-cyclopropyl-[(4-methoxyphenyl)methyl]ammonium IUPAC Name: [2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-cyclopropyl-[(4-methoxyphenyl)methyl]azanium Traditional Name: [2-[(3-tert-butylisoxazol-5-yl)amino]-2-keto-ethyl]-cyclopropyl-p-anisyl-ammonium Formula: C20H28N3O3+ MolecularWeight: 358.45462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NOC(=C1)NC(=O)C[NH+](CC2=CC=C(C=C2)OC)C3CC3

Isomeric SMILES

CC(C)(C)C1=NOC(=C1)NC(=O)C[NH+](CC2=CC=C(C=C2)OC)C3CC3

InChI

InChI=1S/C20H27N3O3/c1-20(2,3)17-11-19(26-22-17)21-18(24)13-23(15-7-8-15)12-14-5-9-16(25-4)10-6-14/h5-6,9-11,15H,7-8,12-13H2,1-4H3,(H,21,24)/p+1