2-[5-[azaniumylidene(azanyl)methyl]-2H-indol-1-ium-2-yl]-6-phenyl-phenolate

Systemtic Name: 2-[5-[azaniumylidene(azanyl)methyl]-2H-indol-1-ium-2-yl]-6-phenyl-phenolate Openeye Name: 2-[5-[amino(azaniumylidene)methyl]-2H-indol-1-ium-2-yl]-6-phenyl-phenolate CAS Name: 2-[5-[amino(iminio)methyl]-2H-indol-1-ium-2-yl]-6-phenylphenolate IUPAC Name: 2-[5-[amino(azaniumylidene)methyl]-2H-indol-1-ium-2-yl]-6-phenylphenolate Traditional Name: 2-[5-[amino(iminio)methyl]-2H-indol-1-ium-2-yl]-6-phenyl-phenolate Formula: C21H18N3O+ MolecularWeight: 328.38712

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=CC=C2)C3C=C4C=C(C=CC4=[NH+]3)C(=[NH2+])N)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=CC=C2)C3C=C4C=C(C=CC4=[NH+]3)C(=[NH2+])N)[O-]

InChI

InChI=1S/C21H17N3O/c22-21(23)14-9-10-18-15(11-14)12-19(24-18)17-8-4-7-16(20(17)25)13-5-2-1-3-6-13/h1-12,19,25H,(H3,22,23)/p+1