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

Systemtic Name: 2-methoxyethyl 5-aminocarbonyl-4-methyl-2-[2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: 2-methoxyethyl 2-[[2-(4-benzylpiperazin-1-ium-1-yl)acetyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylate CAS Name: 5-carbamoyl-4-methyl-2-[[1-oxo-2-[4-(phenylmethyl)-1-piperazin-1-iumyl]ethyl]amino]-3-thiophenecarboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 2-[[2-(4-benzylpiperazin-1-ium-1-yl)acetyl]amino]-5-carbamoyl-4-methylthiophene-3-carboxylate Traditional Name: 2-[[2-(4-benzylpiperazin-1-ium-1-yl)acetyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylic acid 2-methoxyethyl ester Formula: C23H31N4O5S+ MolecularWeight: 475.58104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O5S/c1-16-19(23(30)32-13-12-31-2)22(33-20(16)21(24)29)25-18(28)15-27-10-8-26(9-11-27)14-17-6-4-3-5-7-17/h3-7H,8-15H2,1-2H3,(H2,24,29)(H,25,28)/p+1