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

Systemtic Name: methyl 2-[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 2-[[2-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C19H24N3O4S+ MolecularWeight: 390.47656

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC(=O)NC3=C(C=CS3)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC(=O)NC3=C(C=CS3)C(=O)OC

InChI

InChI=1S/C19H23N3O4S/c1-25-15-5-3-14(4-6-15)22-10-8-21(9-11-22)13-17(23)20-18-16(7-12-27-18)19(24)26-2/h3-7,12H,8-11,13H2,1-2H3,(H,20,23)/p+1