methyl-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]azanium

Systemtic Name: methyl-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]azanium Openeye Name: methyl-[2-(4-methylanilino)-2-oxo-ethyl]-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ammonium CAS Name: methyl-[2-(4-methylanilino)-2-oxoethyl]-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ammonium IUPAC Name: methyl-[2-(4-methylanilino)-2-oxoethyl]-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]azanium Traditional Name: [2-keto-2-(p-toluidino)ethyl]-methyl-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ammonium Formula: C19H22N3O5+ MolecularWeight: 372.39508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C[NH+](C)CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[NH+](C)CC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3

InChI

InChI=1S/C19H21N3O5/c1-13-3-5-16(6-4-13)20-18(23)10-21(2)9-14-7-17(22(24)25)8-15-11-26-12-27-19(14)15/h3-8H,9-12H2,1-2H3,(H,20,23)/p+1