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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-(2-methyl-6-nitro-anilino)-2-oxo-ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]azanium Traditional Name: [2-keto-2-(2-methyl-6-nitro-anilino)ethyl]-methyl-piperonyl-ammonium Formula: C18H20N3O5+ MolecularWeight: 358.3685

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O5/c1-12-4-3-5-14(21(23)24)18(12)19-17(22)10-20(2)9-13-6-7-15-16(8-13)26-11-25-15/h3-8H,9-11H2,1-2H3,(H,19,22)/p+1