ethyl 6-ethyl-3-(1-methylbenzimidazol-2-yl)-8-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-4-oxidanylidene-chromene-2-carboxylate

Systemtic Name: ethyl 6-ethyl-3-(1-methylbenzimidazol-2-yl)-8-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-4-oxidanylidene-chromene-2-carboxylate Openeye Name: ethyl 6-ethyl-7-hydroxy-3-(1-methylbenzimidazol-2-yl)-8-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-4-oxo-chromene-2-carboxylate CAS Name: 6-ethyl-7-hydroxy-3-(1-methyl-2-benzimidazolyl)-8-[[(3R)-3-methyl-1-piperidin-1-iumyl]methyl]-4-oxo-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 6-ethyl-7-hydroxy-3-(1-methylbenzimidazol-2-yl)-8-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-4-oxochromene-2-carboxylate Traditional Name: 6-ethyl-7-hydroxy-4-keto-3-(1-methylbenzimidazol-2-yl)-8-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]chromene-2-carboxylic acid ethyl ester Formula: C29H34N3O5+ MolecularWeight: 504.59736

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(=O)OCC)C3=NC4=CC=CC=C4N3C)C[NH+]5CCCC(C5)C)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(=O)OCC)C3=NC4=CC=CC=C4N3C)C[NH+]5CCC[C@H](C5)C)O

InChI

InChI=1S/C29H33N3O5/c1-5-18-14-19-25(34)23(28-30-21-11-7-8-12-22(21)31(28)4)27(29(35)36-6-2)37-26(19)20(24(18)33)16-32-13-9-10-17(3)15-32/h7-8,11-12,14,17,33H,5-6,9-10,13,15-16H2,1-4H3/p+1/t17-/m1/s1