methyl 5-aminocarbonyl-2-[2-[4-[(3-fluorophenyl)methyl]piperazin-1-ium-1-yl]ethanoylamino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 5-aminocarbonyl-2-[2-[4-[(3-fluorophenyl)methyl]piperazin-1-ium-1-yl]ethanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-carbamoyl-2-[[2-[4-[(3-fluorophenyl)methyl]piperazin-1-ium-1-yl]acetyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-carbamoyl-2-[[2-[4-[(3-fluorophenyl)methyl]-1-piperazin-1-iumyl]-1-oxoethyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-carbamoyl-2-[[2-[4-[(3-fluorophenyl)methyl]piperazin-1-ium-1-yl]acetyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-carbamoyl-2-[[2-[4-(3-fluorobenzyl)piperazin-1-ium-1-yl]acetyl]amino]-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C21H26FN4O4S+ MolecularWeight: 449.518943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C[NH+]2CCN(CC2)CC3=CC(=CC=C3)F)C(=O)N

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C[NH+]2CCN(CC2)CC3=CC(=CC=C3)F)C(=O)N

InChI

InChI=1S/C21H25FN4O4S/c1-13-17(21(29)30-2)20(31-18(13)19(23)28)24-16(27)12-26-8-6-25(7-9-26)11-14-4-3-5-15(22)10-14/h3-5,10H,6-9,11-12H2,1-2H3,(H2,23,28)(H,24,27)/p+1