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

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl-[(3,4-dichlorophenyl)methyl]-methyl-azanium Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl-[(3,4-dichlorophenyl)methyl]-methyl-ammonium CAS Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl-[(3,4-dichlorophenyl)methyl]-methylammonium IUPAC Name: (5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl-[(3,4-dichlorophenyl)methyl]-methylazanium Traditional Name: (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl-(3,4-dichlorobenzyl)-methyl-ammonium Formula: C17H18Cl2N3O2S+ MolecularWeight: 399.31472

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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(C=C2)Cl)Cl

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)C[NH+](C)CC2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C17H17Cl2N3O2S/c1-3-24-17(23)15-12(11(7-20)16(21)25-15)9-22(2)8-10-4-5-13(18)14(19)6-10/h4-6H,3,8-9,21H2,1-2H3/p+1