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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[2-[(3-tert-butylisoxazol-5-yl)amino]-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[2-[(3-tert-butyl-5-isoxazolyl)amino]-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]-methylazanium Traditional Name: [2-[(3-tert-butylisoxazol-5-yl)amino]-2-keto-ethyl]-methyl-piperonyl-ammonium Formula: C18H24N3O4+ MolecularWeight: 346.40086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NOC(=C1)NC(=O)C[NH+](C)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)(C)C1=NOC(=C1)NC(=O)C[NH+](C)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H23N3O4/c1-18(2,3)15-8-17(25-20-15)19-16(22)10-21(4)9-12-5-6-13-14(7-12)24-11-23-13/h5-8H,9-11H2,1-4H3,(H,19,22)/p+1