1,3-benzodioxol-5-ylmethyl-methyl-[(2R)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-methyl-[(2R)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-methyl-[(1R)-1-methyl-2-(2-nitroanilino)-2-oxo-ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-methyl-[(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-methyl-[(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl]azanium Traditional Name: [(1R)-2-keto-1-methyl-2-(2-nitroanilino)ethyl]-methyl-piperonyl-ammonium Formula: C18H20N3O5+ MolecularWeight: 358.3685

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])[NH+](C)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1[N+](=O)[O-])[NH+](C)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H19N3O5/c1-12(18(22)19-14-5-3-4-6-15(14)21(23)24)20(2)10-13-7-8-16-17(9-13)26-11-25-16/h3-9,12H,10-11H2,1-2H3,(H,19,22)/p+1/t12-/m1/s1