2-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]ethyl-di(propan-2-yl)azanium Openeye Name: diisopropyl-[2-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]ethyl]ammonium CAS Name: 2-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]ethyl-di(propan-2-yl)azanium Traditional Name: diisopropyl-[2-[[(E)-3-(6-nitro-1,3-benzodioxol-5-yl)acryloyl]amino]ethyl]ammonium Formula: C18H26N3O5+ MolecularWeight: 364.41614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)[NH+](CCNC(=O)/C=C/C1=CC2=C(C=C1[N+](=O)[O-])OCO2)C(C)C

InChI

InChI=1S/C18H25N3O5/c1-12(2)20(13(3)4)8-7-19-18(22)6-5-14-9-16-17(26-11-25-16)10-15(14)21(23)24/h5-6,9-10,12-13H,7-8,11H2,1-4H3,(H,19,22)/p+1/b6-5+