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

Systemtic Name: 5-methoxy-2-[[(3-propan-2-yl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate Openeye Name: 2-[[(3-isopropyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]-5-methoxy-phenolate CAS Name: 5-methoxy-2-[[(3-propan-2-yl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate IUPAC Name: 5-methoxy-2-[[(3-propan-2-yl-1H-benzimidazol-3-ium-2-yl)amino]methyl]phenolate Traditional Name: 2-[[(3-isopropyl-1H-benzimidazol-3-ium-2-yl)amino]methyl]-5-methoxy-phenolate Formula: C18H21N3O2 MolecularWeight: 311.37824

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[N+]1=C(NC2=CC=CC=C21)NCC3=C(C=C(C=C3)OC)[O-]

Isomeric SMILES

CC(C)[N+]1=C(NC2=CC=CC=C21)NCC3=C(C=C(C=C3)OC)[O-]

InChI

InChI=1S/C18H21N3O2/c1-12(2)21-16-7-5-4-6-15(16)20-18(21)19-11-13-8-9-14(23-3)10-17(13)22/h4-10,12H,11H2,1-3H3,(H2,19,20,22)