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

Systemtic Name: methyl 2-[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C20H26N3O4S+ MolecularWeight: 404.50314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)OC)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)OC)C(=O)OC

InChI

InChI=1S/C20H25N3O4S/c1-14-12-17(20(25)27-3)19(28-14)21-18(24)13-22-8-10-23(11-9-22)15-4-6-16(26-2)7-5-15/h4-7,12H,8-11,13H2,1-3H3,(H,21,24)/p+1