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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C20H25N4O3S+ MolecularWeight: 401.5025

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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=C(C=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O3S/c1-3-27-20(25)18-17(16(12-21)19(22)28-18)13-23-8-10-24(11-9-23)14-4-6-15(26-2)7-5-14/h4-7H,3,8-11,13,22H2,1-2H3/p+1