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

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl-[(4-dimethylaminophenyl)methyl]-methyl-azanium Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl-[(4-dimethylaminophenyl)methyl]-methyl-ammonium CAS Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl-[(4-dimethylaminophenyl)methyl]-methylammonium IUPAC Name: (5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl-[(4-dimethylaminophenyl)methyl]-methylazanium Traditional Name: (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl-[4-(dimethylamino)benzyl]-methyl-ammonium Formula: C19H25N4O2S+ MolecularWeight: 373.4924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4O2S/c1-5-25-19(24)17-16(15(10-20)18(21)26-17)12-23(4)11-13-6-8-14(9-7-13)22(2)3/h6-9H,5,11-12,21H2,1-4H3/p+1