(5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl-methyl-[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl]azanium

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl-methyl-[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl]azanium Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]ammonium CAS Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]ammonium IUPAC Name: (5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium Traditional Name: (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl-(2-keto-2-mesidino-ethyl)-methyl-ammonium Formula: C21H27N4O3S+ MolecularWeight: 415.52908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)C[NH+](C)CC(=O)NC2=C(C=C(C=C2C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)C[NH+](C)CC(=O)NC2=C(C=C(C=C2C)C)C

InChI

InChI=1S/C21H26N4O3S/c1-6-28-21(27)19-16(15(9-22)20(23)29-19)10-25(5)11-17(26)24-18-13(3)7-12(2)8-14(18)4/h7-8H,6,10-11,23H2,1-5H3,(H,24,26)/p+1