4-[[[4-(4-ethoxyphenyl)-3-methyl-1H-imidazol-3-ium-2-yl]amino]methyl]benzene-1,2-diol

Systemtic Name: 4-[[[4-(4-ethoxyphenyl)-3-methyl-1H-imidazol-3-ium-2-yl]amino]methyl]benzene-1,2-diol Openeye Name: 4-[[[4-(4-ethoxyphenyl)-3-methyl-1H-imidazol-3-ium-2-yl]amino]methyl]benzene-1,2-diol CAS Name: 4-[[[4-(4-ethoxyphenyl)-3-methyl-1H-imidazol-3-ium-2-yl]amino]methyl]benzene-1,2-diol IUPAC Name: 4-[[[4-(4-ethoxyphenyl)-3-methyl-1H-imidazol-3-ium-2-yl]amino]methyl]benzene-1,2-diol Traditional Name: 4-[[(3-methyl-4-p-phenetyl-1H-imidazol-3-ium-2-yl)amino]methyl]pyrocatechol Formula: C19H22N3O3+ MolecularWeight: 340.39628

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=CNC(=[N+]2C)NCC3=CC(=C(C=C3)O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=CNC(=[N+]2C)NCC3=CC(=C(C=C3)O)O

InChI

InChI=1S/C19H21N3O3/c1-3-25-15-7-5-14(6-8-15)16-12-21-19(22(16)2)20-11-13-4-9-17(23)18(24)10-13/h4-10,12H,3,11H2,1-2H3,(H3,20,21,23,24)/p+1