1,3-benzodioxol-5-ylmethyl-methyl-[2-[2-[(4-nitrophenyl)amino]ethylamino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-[2-[(4-nitrophenyl)amino]ethylamino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-[2-(4-nitroanilino)ethylamino]-2-oxo-ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-[2-(4-nitroanilino)ethylamino]-2-oxoethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-[2-(4-nitroanilino)ethylamino]-2-oxoethyl]azanium Traditional Name: [2-keto-2-[2-(4-nitroanilino)ethylamino]ethyl]-methyl-piperonyl-ammonium Formula: C19H23N4O5+ MolecularWeight: 387.40972

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)NCCNC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)NCCNC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O5/c1-22(11-14-2-7-17-18(10-14)28-13-27-17)12-19(24)21-9-8-20-15-3-5-16(6-4-15)23(25)26/h2-7,10,20H,8-9,11-13H2,1H3,(H,21,24)/p+1