1,3-benzodioxol-5-ylmethyl-[2-[(2,3-dimethyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[2-[(2,3-dimethyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[2-(2,3-dimethyl-6-nitro-anilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl]-methylammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl]-methylazanium Traditional Name: [2-(2,3-dimethyl-6-nitro-anilino)-2-keto-ethyl]-methyl-piperonyl-ammonium Formula: C19H22N3O5+ MolecularWeight: 372.39508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+](C)CC2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+](C)CC2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C19H21N3O5/c1-12-4-6-15(22(24)25)19(13(12)2)20-18(23)10-21(3)9-14-5-7-16-17(8-14)27-11-26-16/h4-8H,9-11H2,1-3H3,(H,20,23)/p+1