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

Systemtic Name: ethyl 2-azanyl-4-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-(methylcarbamoyl)thiophene-3-carboxylate Openeye Name: ethyl 2-amino-4-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-(methylcarbamoyl)thiophene-3-carboxylate CAS Name: 2-amino-4-[[4-(4-fluorophenyl)-1-piperazin-1-iumyl]methyl]-5-(methylcarbamoyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-4-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-(methylcarbamoyl)thiophene-3-carboxylate Traditional Name: 2-amino-4-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-(methylcarbamoyl)thiophene-3-carboxylic acid ethyl ester Formula: C20H26FN4O3S+ MolecularWeight: 421.508843

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C[NH+]2CCN(CC2)C3=CC=C(C=C3)F)C(=O)NC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C[NH+]2CCN(CC2)C3=CC=C(C=C3)F)C(=O)NC)N

InChI

InChI=1S/C20H25FN4O3S/c1-3-28-20(27)16-15(17(19(26)23-2)29-18(16)22)12-24-8-10-25(11-9-24)14-6-4-13(21)5-7-14/h4-7H,3,8-12,22H2,1-2H3,(H,23,26)/p+1