2-[5-[azaniumylidene(azanyl)methyl]-2H-indol-1-ium-2-yl]-4-methoxy-6-phenyl-phenolate

Systemtic Name: 2-[5-[azaniumylidene(azanyl)methyl]-2H-indol-1-ium-2-yl]-4-methoxy-6-phenyl-phenolate Openeye Name: 2-[5-[amino(azaniumylidene)methyl]-2H-indol-1-ium-2-yl]-4-methoxy-6-phenyl-phenolate CAS Name: 2-[5-[amino(iminio)methyl]-2H-indol-1-ium-2-yl]-4-methoxy-6-phenylphenolate IUPAC Name: 2-[5-[amino(azaniumylidene)methyl]-2H-indol-1-ium-2-yl]-4-methoxy-6-phenylphenolate Traditional Name: 2-[5-[amino(iminio)methyl]-2H-indol-1-ium-2-yl]-4-methoxy-6-phenyl-phenolate Formula: C22H20N3O2+ MolecularWeight: 358.4131

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)C2=CC=CC=C2)[O-])C3C=C4C=C(C=CC4=[NH+]3)C(=[NH2+])N

Isomeric SMILES

COC1=CC(=C(C(=C1)C2=CC=CC=C2)[O-])C3C=C4C=C(C=CC4=[NH+]3)C(=[NH2+])N

InChI

InChI=1S/C22H19N3O2/c1-27-16-11-17(13-5-3-2-4-6-13)21(26)18(12-16)20-10-15-9-14(22(23)24)7-8-19(15)25-20/h2-12,20,26H,1H3,(H3,23,24)/p+1