2-[4-[[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]amino]phenyl]carbonyloxyethyl-diethyl-azanium

Systemtic Name: 2-[4-[[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]amino]phenyl]carbonyloxyethyl-diethyl-azanium Openeye Name: 2-[4-[[(E)-2-cyano-2-(4-methylthiazol-2-yl)vinyl]amino]benzoyl]oxyethyl-diethyl-ammonium CAS Name: 2-[[4-[[(E)-2-cyano-2-(4-methyl-2-thiazolyl)ethenyl]amino]phenyl]-oxomethoxy]ethyl-diethylammonium IUPAC Name: 2-[4-[[(E)-2-cyano-2-(4-methyl-1,3-thiazol-2-yl)ethenyl]amino]benzoyl]oxyethyl-diethylazanium Traditional Name: 2-[4-[[(E)-2-cyano-2-(4-methylthiazol-2-yl)vinyl]amino]benzoyl]oxyethyl-diethyl-ammonium Formula: C20H25N4O2S+ MolecularWeight: 385.5031

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCOC(=O)C1=CC=C(C=C1)NC=C(C#N)C2=NC(=CS2)C

Isomeric SMILES

CC[NH+](CC)CCOC(=O)C1=CC=C(C=C1)N/C=C(\C#N)/C2=NC(=CS2)C

InChI

InChI=1S/C20H24N4O2S/c1-4-24(5-2)10-11-26-20(25)16-6-8-18(9-7-16)22-13-17(12-21)19-23-15(3)14-27-19/h6-9,13-14,22H,4-5,10-11H2,1-3H3/p+1/b17-13+