3-(1-methylbenzimidazol-2-yl)-8-(morpholin-4-ium-4-ylmethyl)-2-oxidanylidene-chromen-7-olate

Systemtic Name: 3-(1-methylbenzimidazol-2-yl)-8-(morpholin-4-ium-4-ylmethyl)-2-oxidanylidene-chromen-7-olate Openeye Name: 3-(1-methylbenzimidazol-2-yl)-8-(morpholin-4-ium-4-ylmethyl)-2-oxo-chromen-7-olate CAS Name: 3-(1-methyl-2-benzimidazolyl)-8-(4-morpholin-4-iumylmethyl)-2-oxo-1-benzopyran-7-olate IUPAC Name: 3-(1-methylbenzimidazol-2-yl)-8-(morpholin-4-ium-4-ylmethyl)-2-oxochromen-7-olate Traditional Name: 2-keto-3-(1-methylbenzimidazol-2-yl)-8-(morpholin-4-ium-4-ylmethyl)chromen-7-olate Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1C3=CC4=C(C(=C(C=C4)[O-])C[NH+]5CCOCC5)OC3=O

Isomeric SMILES

CN1C2=CC=CC=C2N=C1C3=CC4=C(C(=C(C=C4)[O-])C[NH+]5CCOCC5)OC3=O

InChI

InChI=1S/C22H21N3O4/c1-24-18-5-3-2-4-17(18)23-21(24)15-12-14-6-7-19(26)16(20(14)29-22(15)27)13-25-8-10-28-11-9-25/h2-7,12,26H,8-11,13H2,1H3