2-ethoxycarbonyl-6-ethyl-3-(1-methylbenzimidazol-2-yl)-8-[(3-methylpiperidin-1-ium-1-yl)methyl]-4-oxidanylidene-chromen-7-olate

Systemtic Name: 2-ethoxycarbonyl-6-ethyl-3-(1-methylbenzimidazol-2-yl)-8-[(3-methylpiperidin-1-ium-1-yl)methyl]-4-oxidanylidene-chromen-7-olate Openeye Name: 2-ethoxycarbonyl-6-ethyl-3-(1-methylbenzimidazol-2-yl)-8-[(3-methylpiperidin-1-ium-1-yl)methyl]-4-oxo-chromen-7-olate CAS Name: 2-ethoxycarbonyl-6-ethyl-3-(1-methyl-2-benzimidazolyl)-8-[(3-methyl-1-piperidin-1-iumyl)methyl]-4-oxo-1-benzopyran-7-olate IUPAC Name: 2-ethoxycarbonyl-6-ethyl-3-(1-methylbenzimidazol-2-yl)-8-[(3-methylpiperidin-1-ium-1-yl)methyl]-4-oxochromen-7-olate Traditional Name: 2-carbethoxy-6-ethyl-4-keto-3-(1-methylbenzimidazol-2-yl)-8-[(3-methylpiperidin-1-ium-1-yl)methyl]chromen-7-olate Formula: C29H33N3O5 MolecularWeight: 503.58942

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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+]5CCCC(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