[(5R)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-prop-2-enyl-azanium

Systemtic Name: [(5R)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-prop-2-enyl-azanium Openeye Name: allyl-[[(5R)-3-(3,4-dimethoxyphenyl)-4,5-dihydroisoxazol-5-yl]methyl]ammonium CAS Name: [(5R)-3-(3,4-dimethoxyphenyl)-4,5-dihydroisoxazol-5-yl]methyl-prop-2-enylammonium IUPAC Name: [(5R)-3-(3,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-prop-2-enylazanium Traditional Name: allyl-[[(5R)-3-(3,4-dimethoxyphenyl)-2-isoxazolin-5-yl]methyl]ammonium Formula: C15H21N2O3+ MolecularWeight: 277.33884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NOC(C2)C[NH2+]CC=C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NO[C@H](C2)C[NH2+]CC=C)OC

InChI

InChI=1S/C15H20N2O3/c1-4-7-16-10-12-9-13(17-20-12)11-5-6-14(18-2)15(8-11)19-3/h4-6,8,12,16H,1,7,9-10H2,2-3H3/p+1/t12-/m1/s1