1,3-benzodioxol-5-ylmethyl-methyl-[(1R)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-1-phenyl-ethyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-methyl-[(1R)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-1-phenyl-ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-methyl-[(1R)-2-[(5-methylisoxazol-3-yl)amino]-2-oxo-1-phenyl-ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-methyl-[(1R)-2-[(5-methyl-3-isoxazolyl)amino]-2-oxo-1-phenylethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-methyl-[(1R)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl]azanium Traditional Name: [(1R)-2-keto-2-[(5-methylisoxazol-3-yl)amino]-1-phenyl-ethyl]-methyl-piperonyl-ammonium Formula: C21H22N3O4+ MolecularWeight: 380.41708

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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)OCO4

Isomeric SMILES

CC1=CC(=NO1)NC(=O)[C@@H](C2=CC=CC=C2)[NH+](C)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H21N3O4/c1-14-10-19(23-28-14)22-21(25)20(16-6-4-3-5-7-16)24(2)12-15-8-9-17-18(11-15)27-13-26-17/h3-11,20H,12-13H2,1-2H3,(H,22,23,25)/p+1/t20-/m1/s1