N-butanoyl-2-[4-[[(4-cyano-2-methoxycarbonyl-5-methyl-thiophen-3-yl)amino]methyl]phenyl]benzonitrilium

Systemtic Name: N-butanoyl-2-[4-[[(4-cyano-2-methoxycarbonyl-5-methyl-thiophen-3-yl)amino]methyl]phenyl]benzonitrilium Openeye Name: N-butanoyl-2-[4-[[(4-cyano-2-methoxycarbonyl-5-methyl-3-thienyl)amino]methyl]phenyl]benzonitrilium CAS Name: 2-[4-[[(4-cyano-2-methoxycarbonyl-5-methyl-3-thiophenyl)amino]methyl]phenyl]-N-(1-oxobutyl)benzonitrilium IUPAC Name: N-butanoyl-2-[4-[[(4-cyano-2-methoxycarbonyl-5-methylthiophen-3-yl)amino]methyl]phenyl]benzonitrilium Traditional Name: N-butyryl-2-[4-[[(2-carbomethoxy-4-cyano-5-methyl-3-thienyl)amino]methyl]phenyl]benzonitrilium Formula: C26H24N3O3S+ MolecularWeight: 458.55206

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)[N+]#CC1=CC=CC=C1C2=CC=C(C=C2)CNC3=C(SC(=C3C#N)C)C(=O)OC

Isomeric SMILES

CCCC(=O)[N+]#CC1=CC=CC=C1C2=CC=C(C=C2)CNC3=C(SC(=C3C#N)C)C(=O)OC

InChI

InChI=1S/C26H23N3O3S/c1-4-7-23(30)28-16-20-8-5-6-9-21(20)19-12-10-18(11-13-19)15-29-24-22(14-27)17(2)33-25(24)26(31)32-3/h5-6,8-13H,4,7,15H2,1-3H3/p+1