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

Systemtic Name: 8-[(3,3-dimethylpiperidin-1-ium-1-yl)methyl]-6-ethyl-3-(1-methylbenzimidazol-2-yl)-4-oxidanylidene-chromen-7-olate Openeye Name: 8-[(3,3-dimethylpiperidin-1-ium-1-yl)methyl]-6-ethyl-3-(1-methylbenzimidazol-2-yl)-4-oxo-chromen-7-olate CAS Name: 8-[(3,3-dimethyl-1-piperidin-1-iumyl)methyl]-6-ethyl-3-(1-methyl-2-benzimidazolyl)-4-oxo-1-benzopyran-7-olate IUPAC Name: 8-[(3,3-dimethylpiperidin-1-ium-1-yl)methyl]-6-ethyl-3-(1-methylbenzimidazol-2-yl)-4-oxochromen-7-olate Traditional Name: 8-[(3,3-dimethylpiperidin-1-ium-1-yl)methyl]-6-ethyl-4-keto-3-(1-methylbenzimidazol-2-yl)chromen-7-olate Formula: C27H31N3O3 MolecularWeight: 445.55334

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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)C)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C27H31N3O3/c1-5-17-13-18-24(32)20(26-28-21-9-6-7-10-22(21)29(26)4)15-33-25(18)19(23(17)31)14-30-12-8-11-27(2,3)16-30/h6-7,9-10,13,15,31H,5,8,11-12,14,16H2,1-4H3