2-[[[1-(2-methoxyphenyl)-3H-benzimidazol-1-ium-5-yl]amino]methyl]phenolate

Systemtic Name: 2-[[[1-(2-methoxyphenyl)-3H-benzimidazol-1-ium-5-yl]amino]methyl]phenolate Openeye Name: 2-[[[1-(2-methoxyphenyl)-3H-benzimidazol-1-ium-5-yl]amino]methyl]phenolate CAS Name: 2-[[[1-(2-methoxyphenyl)-3H-benzimidazol-1-ium-5-yl]amino]methyl]phenolate IUPAC Name: 2-[[[1-(2-methoxyphenyl)-3H-benzimidazol-1-ium-5-yl]amino]methyl]phenolate Traditional Name: 2-[[[1-(2-methoxyphenyl)-3H-benzimidazol-1-ium-5-yl]amino]methyl]phenolate Formula: C21H19N3O2 MolecularWeight: 345.39446

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1[N+]2=CNC3=C2C=CC(=C3)NCC4=CC=CC=C4[O-]

Isomeric SMILES

COC1=CC=CC=C1[N+]2=CNC3=C2C=CC(=C3)NCC4=CC=CC=C4[O-]

InChI

InChI=1S/C21H19N3O2/c1-26-21-9-5-3-7-19(21)24-14-23-17-12-16(10-11-18(17)24)22-13-15-6-2-4-8-20(15)25/h2-12,14,22,25H,13H2,1H3