dimethyl 5-[2-[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]ethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[1-oxo-2-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidin-1-iumyl]ethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[4-(2-keto-3H-benzimidazol-1-yl)piperidin-1-ium-1-yl]acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C24H27N4O6+ MolecularWeight: 467.49438

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C[NH+]2CCC(CC2)N3C4=CC=CC=C4NC3=O)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C[NH+]2CCC(CC2)N3C4=CC=CC=C4NC3=O)C(=O)OC

InChI

InChI=1S/C24H26N4O6/c1-33-22(30)15-11-16(23(31)34-2)13-17(12-15)25-21(29)14-27-9-7-18(8-10-27)28-20-6-4-3-5-19(20)26-24(28)32/h3-6,11-13,18H,7-10,14H2,1-2H3,(H,25,29)(H,26,32)/p+1