diethyl 5-[2-[4-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[2-[4-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[2-[4-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-[4-(1H-benzimidazol-2-yl)-1-piperidin-1-iumyl]-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[2-[4-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-[4-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C25H31N4O5S+ MolecularWeight: 499.60244

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4N3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C25H30N4O5S/c1-4-33-24(31)20-15(3)21(25(32)34-5-2)35-23(20)28-19(30)14-29-12-10-16(11-13-29)22-26-17-8-6-7-9-18(17)27-22/h6-9,16H,4-5,10-14H2,1-3H3,(H,26,27)(H,28,30)/p+1