2-[[(E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enoyl]amino]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[[(E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enoyl]amino]ethyl-di(propan-2-yl)azanium Openeye Name: diisopropyl-[2-[[(E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enoyl]amino]ethyl]ammonium CAS Name: 2-[[(E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)-1-oxoprop-2-enyl]amino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[[(E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enoyl]amino]ethyl-di(propan-2-yl)azanium Traditional Name: diisopropyl-[2-[[(E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)acryloyl]amino]ethyl]ammonium Formula: C19H28N3O5+ MolecularWeight: 378.44272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCNC(=O)C=CC1=CC(=CC2=C1OCOC2)[N+](=O)[O-])C(C)C

Isomeric SMILES

CC(C)[NH+](CCNC(=O)/C=C/C1=CC(=CC2=C1OCOC2)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C19H27N3O5/c1-13(2)21(14(3)4)8-7-20-18(23)6-5-15-9-17(22(24)25)10-16-11-26-12-27-19(15)16/h5-6,9-10,13-14H,7-8,11-12H2,1-4H3,(H,20,23)/p+1/b6-5+