8-(azepan-1-ium-1-ylmethyl)-3-(1H-benzimidazol-3-ium-2-yl)-7-oxidanyl-chromen-2-one

Systemtic Name: 8-(azepan-1-ium-1-ylmethyl)-3-(1H-benzimidazol-3-ium-2-yl)-7-oxidanyl-chromen-2-one Openeye Name: 8-(azepan-1-ium-1-ylmethyl)-3-(1H-benzimidazol-3-ium-2-yl)-7-hydroxy-chromen-2-one CAS Name: 8-(1-azepan-1-iumylmethyl)-3-(1H-benzimidazol-3-ium-2-yl)-7-hydroxy-1-benzopyran-2-one IUPAC Name: 8-(azepan-1-ium-1-ylmethyl)-3-(1H-benzimidazol-3-ium-2-yl)-7-hydroxychromen-2-one Traditional Name: 8-(azepan-1-ium-1-ylmethyl)-3-(1H-benzimidazol-3-ium-2-yl)-7-hydroxy-coumarin Formula: C23H25N3O3+2 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=C(C=CC3=C2OC(=O)C(=C3)C4=[NH+]C5=CC=CC=C5N4)O

Isomeric SMILES

C1CCC[NH+](CC1)CC2=C(C=CC3=C2OC(=O)C(=C3)C4=[NH+]C5=CC=CC=C5N4)O

InChI

InChI=1S/C23H23N3O3/c27-20-10-9-15-13-16(22-24-18-7-3-4-8-19(18)25-22)23(28)29-21(15)17(20)14-26-11-5-1-2-6-12-26/h3-4,7-10,13,27H,1-2,5-6,11-12,14H2,(H,24,25)/p+2