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

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl-[(5-bromanylthiophen-2-yl)methyl]-methyl-azanium Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl-[(5-bromo-2-thienyl)methyl]-methyl-ammonium CAS Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl-[(5-bromo-2-thiophenyl)methyl]-methylammonium IUPAC Name: (5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl-[(5-bromothiophen-2-yl)methyl]-methylazanium Traditional Name: (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl-[(5-bromo-2-thienyl)methyl]-methyl-ammonium Formula: C15H17BrN3O2S2+ MolecularWeight: 415.34838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)C[NH+](C)CC2=CC=C(S2)Br

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)C[NH+](C)CC2=CC=C(S2)Br

InChI

InChI=1S/C15H16BrN3O2S2/c1-3-21-15(20)13-11(10(6-17)14(18)23-13)8-19(2)7-9-4-5-12(16)22-9/h4-5H,3,7-8,18H2,1-2H3/p+1