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

Systemtic Name: 6-ethyl-3-(1-methylbenzimidazol-2-yl)-8-[(3-methylpiperidin-1-ium-1-yl)methyl]-4-oxidanylidene-chromen-7-olate Openeye Name: 6-ethyl-3-(1-methylbenzimidazol-2-yl)-8-[(3-methylpiperidin-1-ium-1-yl)methyl]-4-oxo-chromen-7-olate CAS Name: 6-ethyl-3-(1-methyl-2-benzimidazolyl)-8-[(3-methyl-1-piperidin-1-iumyl)methyl]-4-oxo-1-benzopyran-7-olate IUPAC Name: 6-ethyl-3-(1-methylbenzimidazol-2-yl)-8-[(3-methylpiperidin-1-ium-1-yl)methyl]-4-oxochromen-7-olate Traditional Name: 6-ethyl-4-keto-3-(1-methylbenzimidazol-2-yl)-8-[(3-methylpiperidin-1-ium-1-yl)methyl]chromen-7-olate Formula: C26H29N3O3 MolecularWeight: 431.52676

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=NC4=CC=CC=C4N3C)C[NH+]5CCCC(C5)C)[O-]

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=NC4=CC=CC=C4N3C)C[NH+]5CCCC(C5)C)[O-]

InChI

InChI=1S/C26H29N3O3/c1-4-17-12-18-24(31)20(26-27-21-9-5-6-10-22(21)28(26)3)15-32-25(18)19(23(17)30)14-29-11-7-8-16(2)13-29/h5-6,9-10,12,15-16,30H,4,7-8,11,13-14H2,1-3H3