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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1C3=CC4=C(C(=C(C=C4)[O-])C[NH+]5CCCC5)OC3=O

Isomeric SMILES

CN1C2=CC=CC=C2N=C1C3=CC4=C(C(=C(C=C4)[O-])C[NH+]5CCCC5)OC3=O

InChI

InChI=1S/C22H21N3O3/c1-24-18-7-3-2-6-17(18)23-21(24)15-12-14-8-9-19(26)16(20(14)28-22(15)27)13-25-10-4-5-11-25/h2-3,6-9,12,26H,4-5,10-11,13H2,1H3