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

Systemtic Name: 2-[5-[azaniumylidene(azanyl)methyl]-2H-benzimidazol-1-ium-2-yl]-6-(2-methylpropoxy)phenolate Openeye Name: 2-[5-[amino(azaniumylidene)methyl]-2H-benzimidazol-1-ium-2-yl]-6-isobutoxy-phenolate CAS Name: 2-[5-[amino(iminio)methyl]-2H-benzimidazol-1-ium-2-yl]-6-(2-methylpropoxy)phenolate IUPAC Name: 2-[5-[amino(azaniumylidene)methyl]-2H-benzimidazol-1-ium-2-yl]-6-(2-methylpropoxy)phenolate Traditional Name: 2-[5-[amino(iminio)methyl]-2H-benzimidazol-1-ium-2-yl]-6-isobutoxy-phenolate Formula: C18H21N4O2+ MolecularWeight: 325.38494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC(=C1[O-])C2[NH+]=C3C=CC(=CC3=N2)C(=[NH2+])N

Isomeric SMILES

CC(C)COC1=CC=CC(=C1[O-])C2[NH+]=C3C=CC(=CC3=N2)C(=[NH2+])N

InChI

InChI=1S/C18H20N4O2/c1-10(2)9-24-15-5-3-4-12(16(15)23)18-21-13-7-6-11(17(19)20)8-14(13)22-18/h3-8,10,18,23H,9H2,1-2H3,(H3,19,20)/p+1