3-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]propyl-dimethylazanium Traditional Name: 3-[[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]amino]propyl-dimethyl-ammonium Formula: C15H21N2O3+ MolecularWeight: 277.33884

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=O)C=CC1=CC2=C(C=C1)OCO2

Isomeric SMILES

C[NH+](C)CCCNC(=O)/C=C/C1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C15H20N2O3/c1-17(2)9-3-8-16-15(18)7-5-12-4-6-13-14(10-12)20-11-19-13/h4-7,10H,3,8-9,11H2,1-2H3,(H,16,18)/p+1/b7-5+