dimethyl 3-methyl-5-[2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]ethanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 3-methyl-5-[2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]ethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-[[2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]acetyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[2-[methyl-(1-methyl-4-piperidin-1-iumyl)amino]-1-oxoethyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-[[2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]acetyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]acetyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C18H28N3O5S+ MolecularWeight: 398.49702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CN(C)C2CC[NH+](CC2)C)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CN(C)C2CC[NH+](CC2)C)C(=O)OC

InChI

InChI=1S/C18H27N3O5S/c1-11-14(17(23)25-4)16(27-15(11)18(24)26-5)19-13(22)10-21(3)12-6-8-20(2)9-7-12/h12H,6-10H2,1-5H3,(H,19,22)/p+1