(5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl-[2-(dimethylamino)-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl-[2-(dimethylamino)-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl-[2-(dimethylamino)-2-oxo-ethyl]-methyl-ammonium CAS Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl-[2-(dimethylamino)-2-oxoethyl]-methylammonium IUPAC Name: (5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl-[2-(dimethylamino)-2-oxoethyl]-methylazanium Traditional Name: (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl-[2-(dimethylamino)-2-keto-ethyl]-methyl-ammonium Formula: C14H21N4O3S+ MolecularWeight: 325.40654

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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)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C14H20N4O3S/c1-5-21-14(20)12-10(9(6-15)13(16)22-12)7-18(4)8-11(19)17(2)3/h5,7-8,16H2,1-4H3/p+1