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

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-methyl-azanium Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-methyl-ammonium CAS Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl-[(4,5-dimethoxy-2-methylphenyl)methyl]-methylammonium IUPAC Name: (5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl-[(4,5-dimethoxy-2-methylphenyl)methyl]-methylazanium Traditional Name: (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl-(4,5-dimethoxy-2-methyl-benzyl)-methyl-ammonium Formula: C20H26N3O4S+ MolecularWeight: 404.50314

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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=C2C)OC)OC

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)C[NH+](C)CC2=CC(=C(C=C2C)OC)OC

InChI

InChI=1S/C20H25N3O4S/c1-6-27-20(24)18-15(14(9-21)19(22)28-18)11-23(3)10-13-8-17(26-5)16(25-4)7-12(13)2/h7-8H,6,10-11,22H2,1-5H3/p+1