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

Systemtic Name: ethyl 5-azanyl-3-[[4-(2-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[[4-(2-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[[4-(2-chlorophenyl)-1-piperazin-1-iumyl]methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[[4-(2-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[[4-(2-chlorophenyl)piperazin-1-ium-1-yl]methyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C19H22ClN4O2S+ MolecularWeight: 405.92158

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)C[NH+]2CCN(CC2)C3=CC=CC=C3Cl

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)C[NH+]2CCN(CC2)C3=CC=CC=C3Cl

InChI

InChI=1S/C19H21ClN4O2S/c1-2-26-19(25)17-14(13(11-21)18(22)27-17)12-23-7-9-24(10-8-23)16-6-4-3-5-15(16)20/h3-6H,2,7-10,12,22H2,1H3/p+1