2-[4-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]phenyl]carbonyloxyethyl-diethyl-azanium

Systemtic Name: 2-[4-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]phenyl]carbonyloxyethyl-diethyl-azanium Openeye Name: 2-[4-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]benzoyl]oxyethyl-diethyl-ammonium CAS Name: 2-[[4-[[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]phenyl]-oxomethoxy]ethyl-diethylammonium IUPAC Name: 2-[4-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]benzoyl]oxyethyl-diethylazanium Traditional Name: 2-[4-[[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]amino]benzoyl]oxyethyl-diethyl-ammonium Formula: C23H27N2O5+ MolecularWeight: 411.47088

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)C=CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC[NH+](CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)/C=C/C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C23H26N2O5/c1-3-25(4-2)13-14-28-23(27)18-7-9-19(10-8-18)24-22(26)12-6-17-5-11-20-21(15-17)30-16-29-20/h5-12,15H,3-4,13-14,16H2,1-2H3,(H,24,26)/p+1/b12-6+