3-(1H-benzimidazol-2-yl)-6-ethyl-4-oxidanylidene-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate

Systemtic Name: 3-(1H-benzimidazol-2-yl)-6-ethyl-4-oxidanylidene-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Openeye Name: 3-(1H-benzimidazol-2-yl)-6-ethyl-4-oxo-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate CAS Name: 3-(1H-benzimidazol-2-yl)-6-ethyl-4-oxo-8-(1-piperidin-1-iumylmethyl)-1-benzopyran-7-olate IUPAC Name: 3-(1H-benzimidazol-2-yl)-6-ethyl-4-oxo-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Traditional Name: 3-(1H-benzimidazol-2-yl)-6-ethyl-4-keto-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Formula: C24H25N3O3 MolecularWeight: 403.4736

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=NC4=CC=CC=C4N3)C[NH+]5CCCCC5)[O-]

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=NC4=CC=CC=C4N3)C[NH+]5CCCCC5)[O-]

InChI

InChI=1S/C24H25N3O3/c1-2-15-12-16-22(29)18(24-25-19-8-4-5-9-20(19)26-24)14-30-23(16)17(21(15)28)13-27-10-6-3-7-11-27/h4-5,8-9,12,14,28H,2-3,6-7,10-11,13H2,1H3,(H,25,26)