methyl 3-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C18H21FN3O3S+ MolecularWeight: 378.441043

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H20FN3O3S/c1-25-18(24)17-15(6-11-26-17)20-16(23)12-21-7-9-22(10-8-21)14-4-2-13(19)3-5-14/h2-6,11H,7-10,12H2,1H3,(H,20,23)/p+1