3-(1-methylbenzimidazol-2-yl)-2-oxidanylidene-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate

Systemtic Name: 3-(1-methylbenzimidazol-2-yl)-2-oxidanylidene-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Openeye Name: 3-(1-methylbenzimidazol-2-yl)-2-oxo-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate CAS Name: 3-(1-methyl-2-benzimidazolyl)-2-oxo-8-(1-piperidin-1-iumylmethyl)-1-benzopyran-7-olate IUPAC Name: 3-(1-methylbenzimidazol-2-yl)-2-oxo-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Traditional Name: 2-keto-3-(1-methylbenzimidazol-2-yl)-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Formula: C23H23N3O3 MolecularWeight: 389.44702

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1C3=CC4=C(C(=C(C=C4)[O-])C[NH+]5CCCCC5)OC3=O

Isomeric SMILES

CN1C2=CC=CC=C2N=C1C3=CC4=C(C(=C(C=C4)[O-])C[NH+]5CCCCC5)OC3=O

InChI

InChI=1S/C23H23N3O3/c1-25-19-8-4-3-7-18(19)24-22(25)16-13-15-9-10-20(27)17(21(15)29-23(16)28)14-26-11-5-2-6-12-26/h3-4,7-10,13,27H,2,5-6,11-12,14H2,1H3