(5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl-butyl-methyl-azanium

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl-butyl-methyl-azanium Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl-butyl-methyl-ammonium CAS Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl-butyl-methylammonium IUPAC Name: (5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl-butyl-methylazanium Traditional Name: (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl-butyl-methyl-ammonium Formula: C14H22N3O2S+ MolecularWeight: 296.40838

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](C)CC1=C(SC(=C1C#N)N)C(=O)OCC

Isomeric SMILES

CCCC[NH+](C)CC1=C(SC(=C1C#N)N)C(=O)OCC

InChI

InChI=1S/C14H21N3O2S/c1-4-6-7-17(3)9-11-10(8-15)13(16)20-12(11)14(18)19-5-2/h4-7,9,16H2,1-3H3/p+1