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

Systemtic Name: 3-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]propyl-diethyl-azanium Openeye Name: 3-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]propyl-diethyl-ammonium CAS Name: 3-[[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]propyl-diethylammonium IUPAC Name: 3-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]propyl-diethylazanium Traditional Name: 3-[[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]amino]propyl-diethyl-ammonium Formula: C17H25N2O3+ MolecularWeight: 305.392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O3/c1-3-19(4-2)11-5-10-18-17(20)9-7-14-6-8-15-16(12-14)22-13-21-15/h6-9,12H,3-5,10-11,13H2,1-2H3,(H,18,20)/p+1/b9-7+