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

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl-[(2,3-dimethoxyphenyl)methyl]-methyl-azanium Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl-[(2,3-dimethoxyphenyl)methyl]-methyl-ammonium CAS Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl-[(2,3-dimethoxyphenyl)methyl]-methylammonium IUPAC Name: (5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl-[(2,3-dimethoxyphenyl)methyl]-methylazanium Traditional Name: (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl-methyl-o-veratryl-ammonium Formula: C19H24N3O4S+ MolecularWeight: 390.47656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O4S/c1-5-26-19(23)17-14(13(9-20)18(21)27-17)11-22(2)10-12-7-6-8-15(24-3)16(12)25-4/h6-8H,5,10-11,21H2,1-4H3/p+1