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

Systemtic Name: 2-[5-[azaniumylidene(azanyl)methyl]-2H-benzimidazol-1-ium-2-yl]-6-cyclopentyloxy-phenolate Openeye Name: 2-[5-[amino(azaniumylidene)methyl]-2H-benzimidazol-1-ium-2-yl]-6-(cyclopentoxy)phenolate CAS Name: 2-[5-[amino(iminio)methyl]-2H-benzimidazol-1-ium-2-yl]-6-cyclopentyloxyphenolate IUPAC Name: 2-[5-[amino(azaniumylidene)methyl]-2H-benzimidazol-1-ium-2-yl]-6-cyclopentyloxyphenolate Traditional Name: 2-[5-[amino(iminio)methyl]-2H-benzimidazol-1-ium-2-yl]-6-(cyclopentoxy)phenolate Formula: C19H21N4O2+ MolecularWeight: 337.39564

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)OC2=CC=CC(=C2[O-])C3[NH+]=C4C=CC(=CC4=N3)C(=[NH2+])N

Isomeric SMILES

C1CCC(C1)OC2=CC=CC(=C2[O-])C3[NH+]=C4C=CC(=CC4=N3)C(=[NH2+])N

InChI

InChI=1S/C19H20N4O2/c20-18(21)11-8-9-14-15(10-11)23-19(22-14)13-6-3-7-16(17(13)24)25-12-4-1-2-5-12/h3,6-10,12,19,24H,1-2,4-5H2,(H3,20,21)/p+1