2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-1-phenyl-ethyl]azanium

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-1-phenyl-ethyl]azanium Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[(1S)-2-[(5-methylisoxazol-3-yl)amino]-2-oxo-1-phenyl-ethyl]ammonium CAS Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[(1S)-2-[(5-methyl-3-isoxazolyl)amino]-2-oxo-1-phenylethyl]ammonium IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-methyl-[(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]azanium Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[(1S)-2-keto-2-[(5-methylisoxazol-3-yl)amino]-1-phenyl-ethyl]-methyl-ammonium Formula: C22H24N3O4+ MolecularWeight: 394.44366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C(C2=CC=CC=C2)[NH+](C)CC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=CC(=NO1)NC(=O)[C@H](C2=CC=CC=C2)[NH+](C)CC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H23N3O4/c1-15-12-20(24-29-15)23-22(26)21(17-6-4-3-5-7-17)25(2)14-16-8-9-18-19(13-16)28-11-10-27-18/h3-9,12-13,21H,10-11,14H2,1-2H3,(H,23,24,26)/p+1/t21-/m0/s1