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

Systemtic Name: 3-(1H-benzimidazol-2-yl)-2-oxidanylidene-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Openeye Name: 3-(1H-benzimidazol-2-yl)-2-oxo-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate CAS Name: 3-(1H-benzimidazol-2-yl)-2-oxo-8-(1-piperidin-1-iumylmethyl)-1-benzopyran-7-olate IUPAC Name: 3-(1H-benzimidazol-2-yl)-2-oxo-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Traditional Name: 3-(1H-benzimidazol-2-yl)-2-keto-8-(piperidin-1-ium-1-ylmethyl)chromen-7-olate Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=O)C(=C3)C4=NC5=CC=CC=C5N4)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=O)C(=C3)C4=NC5=CC=CC=C5N4)[O-]

InChI

InChI=1S/C22H21N3O3/c26-19-9-8-14-12-15(21-23-17-6-2-3-7-18(17)24-21)22(27)28-20(14)16(19)13-25-10-4-1-5-11-25/h2-3,6-9,12,26H,1,4-5,10-11,13H2,(H,23,24)