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

Systemtic Name: propan-2-yl 5-aminocarbonyl-2-[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-ium-1-yl]ethanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: isopropyl 5-carbamoyl-2-[[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-ium-1-yl]acetyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-carbamoyl-2-[[2-[4-[(3-methoxyphenyl)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-methoxyphenyl)methyl]piperazin-1-ium-1-yl]acetyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-carbamoyl-2-[[2-(4-m-anisylpiperazin-1-ium-1-yl)acetyl]amino]-4-methyl-thiophene-3-carboxylic acid isopropyl ester Formula: C24H33N4O5S+ MolecularWeight: 489.60762

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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)OC)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C24H32N4O5S/c1-15(2)33-24(31)20-16(3)21(22(25)30)34-23(20)26-19(29)14-28-10-8-27(9-11-28)13-17-6-5-7-18(12-17)32-4/h5-7,12,15H,8-11,13-14H2,1-4H3,(H2,25,30)(H,26,29)/p+1