2-[[4-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]phenyl]carbonylamino]ethyl-diethyl-azanium

Systemtic Name: 2-[[4-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]phenyl]carbonylamino]ethyl-diethyl-azanium Openeye Name: 2-[[4-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]benzoyl]amino]ethyl-diethyl-ammonium CAS Name: 2-[[[4-[[(E)-3-(3-chlorophenyl)-1-oxoprop-2-enyl]amino]phenyl]-oxomethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[[4-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]benzoyl]amino]ethyl-diethylazanium Traditional Name: 2-[[4-[[(E)-3-(3-chlorophenyl)acryloyl]amino]benzoyl]amino]ethyl-diethyl-ammonium Formula: C22H27ClN3O2+ MolecularWeight: 400.92168

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)C=CC2=CC(=CC=C2)Cl

Isomeric SMILES

CC[NH+](CC)CCNC(=O)C1=CC=C(C=C1)NC(=O)/C=C/C2=CC(=CC=C2)Cl

InChI

InChI=1S/C22H26ClN3O2/c1-3-26(4-2)15-14-24-22(28)18-9-11-20(12-10-18)25-21(27)13-8-17-6-5-7-19(23)16-17/h5-13,16H,3-4,14-15H2,1-2H3,(H,24,28)(H,25,27)/p+1/b13-8+