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

Systemtic Name: 8-(azepan-1-ium-1-ylmethyl)-3-(1-methylbenzimidazol-2-yl)-2-oxidanylidene-chromen-7-olate Openeye Name: 8-(azepan-1-ium-1-ylmethyl)-3-(1-methylbenzimidazol-2-yl)-2-oxo-chromen-7-olate CAS Name: 8-(1-azepan-1-iumylmethyl)-3-(1-methyl-2-benzimidazolyl)-2-oxo-1-benzopyran-7-olate IUPAC Name: 8-(azepan-1-ium-1-ylmethyl)-3-(1-methylbenzimidazol-2-yl)-2-oxochromen-7-olate Traditional Name: 8-(azepan-1-ium-1-ylmethyl)-2-keto-3-(1-methylbenzimidazol-2-yl)chromen-7-olate Formula: C24H25N3O3 MolecularWeight: 403.4736

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1C3=CC4=C(C(=C(C=C4)[O-])C[NH+]5CCCCCC5)OC3=O

Isomeric SMILES

CN1C2=CC=CC=C2N=C1C3=CC4=C(C(=C(C=C4)[O-])C[NH+]5CCCCCC5)OC3=O

InChI

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