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

Systemtic Name: methyl 4-(4-fluorophenyl)-2-[2-(4-methylpiperazin-1-ium-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(4-fluorophenyl)-2-[[2-(4-methylpiperazin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 4-(4-fluorophenyl)-2-[[2-(4-methyl-1-piperazin-1-iumyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-fluorophenyl)-2-[[2-(4-methylpiperazin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-(4-fluorophenyl)-2-[[2-(4-methylpiperazin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C19H23FN3O3S+ MolecularWeight: 392.467623

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1)CC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)F)C(=O)OC

Isomeric SMILES

CN1CC[NH+](CC1)CC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)F)C(=O)OC

InChI

InChI=1S/C19H22FN3O3S/c1-22-7-9-23(10-8-22)11-16(24)21-18-17(19(25)26-2)15(12-27-18)13-3-5-14(20)6-4-13/h3-6,12H,7-11H2,1-2H3,(H,21,24)/p+1