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

Systemtic Name: propan-2-yl 5-aminocarbonyl-2-[2-[4-[(3-fluorophenyl)methyl]piperazin-1-ium-1-yl]ethanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C23H30FN4O4S+ MolecularWeight: 477.572103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29FN4O4S/c1-14(2)32-23(31)19-15(3)20(21(25)30)33-22(19)26-18(29)13-28-9-7-27(8-10-28)12-16-5-4-6-17(24)11-16/h4-6,11,14H,7-10,12-13H2,1-3H3,(H2,25,30)(H,26,29)/p+1