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

Systemtic Name: 4-(2-azaniumylethyl)-2-[5-[azaniumylidene(azanyl)methyl]-2H-benzimidazol-1-ium-2-yl]-6-phenyl-phenolate Openeye Name: 2-[5-[amino(azaniumylidene)methyl]-2H-benzimidazol-1-ium-2-yl]-4-(2-azaniumylethyl)-6-phenyl-phenolate CAS Name: 2-[5-[amino(iminio)methyl]-2H-benzimidazol-1-ium-2-yl]-4-(2-ammonioethyl)-6-phenylphenolate IUPAC Name: 2-[5-[amino(azaniumylidene)methyl]-2H-benzimidazol-1-ium-2-yl]-4-(2-azaniumylethyl)-6-phenylphenolate Traditional Name: 2-[5-[amino(iminio)methyl]-2H-benzimidazol-1-ium-2-yl]-4-(2-ammonioethyl)-6-phenyl-phenolate Formula: C22H23N5O+2 MolecularWeight: 373.45092

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=CC(=C2[O-])C3[NH+]=C4C=CC(=CC4=N3)C(=[NH2+])N)CC[NH3+]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=CC(=C2[O-])C3[NH+]=C4C=CC(=CC4=N3)C(=[NH2+])N)CC[NH3+]

InChI

InChI=1S/C22H21N5O/c23-9-8-13-10-16(14-4-2-1-3-5-14)20(28)17(11-13)22-26-18-7-6-15(21(24)25)12-19(18)27-22/h1-7,10-12,22,28H,8-9,23H2,(H3,24,25)/p+2