2-[5-[azaniumylidene(azanyl)methyl]-6-chloranyl-2H-benzimidazol-3-ium-2-yl]-6-(2-methylpropoxy)phenolate

Systemtic Name: 2-[5-[azaniumylidene(azanyl)methyl]-6-chloranyl-2H-benzimidazol-3-ium-2-yl]-6-(2-methylpropoxy)phenolate Openeye Name: 2-[5-[amino(azaniumylidene)methyl]-6-chloro-2H-benzimidazol-3-ium-2-yl]-6-isobutoxy-phenolate CAS Name: 2-[5-[amino(iminio)methyl]-6-chloro-2H-benzimidazol-3-ium-2-yl]-6-(2-methylpropoxy)phenolate IUPAC Name: 2-[5-[amino(azaniumylidene)methyl]-6-chloro-2H-benzimidazol-3-ium-2-yl]-6-(2-methylpropoxy)phenolate Traditional Name: 2-[5-[amino(iminio)methyl]-6-chloro-2H-benzimidazol-3-ium-2-yl]-6-isobutoxy-phenolate Formula: C18H20ClN4O2+ MolecularWeight: 359.83

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN4O2/c1-9(2)8-25-15-5-3-4-10(16(15)24)18-22-13-6-11(17(20)21)12(19)7-14(13)23-18/h3-7,9,18,24H,8H2,1-2H3,(H3,20,21)/p+1