ethyl 5-azanyl-4-cyano-3-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[4-(o-tolyl)piperazin-1-ium-1-yl]methyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[4-(2-methylphenyl)-1-piperazin-1-iumyl]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[4-(2-methylphenyl)piperazin-1-ium-1-yl]methyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[4-(o-tolyl)piperazin-1-ium-1-yl]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C20H25N4O2S+ MolecularWeight: 385.5031

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)C[NH+]2CCN(CC2)C3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)C[NH+]2CCN(CC2)C3=CC=CC=C3C

InChI

InChI=1S/C20H24N4O2S/c1-3-26-20(25)18-16(15(12-21)19(22)27-18)13-23-8-10-24(11-9-23)17-7-5-4-6-14(17)2/h4-7H,3,8-11,13,22H2,1-2H3/p+1