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

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl-[2-(4-chloranylphenoxy)ethyl]-methyl-azanium Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl-[2-(4-chlorophenoxy)ethyl]-methyl-ammonium CAS Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl-[2-(4-chlorophenoxy)ethyl]-methylammonium IUPAC Name: (5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl-[2-(4-chlorophenoxy)ethyl]-methylazanium Traditional Name: (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl-[2-(4-chlorophenoxy)ethyl]-methyl-ammonium Formula: C18H21ClN3O3S+ MolecularWeight: 394.89564

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)C[NH+](C)CCOC2=CC=C(C=C2)Cl

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)C[NH+](C)CCOC2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H20ClN3O3S/c1-3-24-18(23)16-15(14(10-20)17(21)26-16)11-22(2)8-9-25-13-6-4-12(19)5-7-13/h4-7H,3,8-9,11,21H2,1-2H3/p+1