4-[[(4S)-3-methyl-4-(phenylmethyl)-4,5-dihydro-1H-imidazol-3-ium-2-yl]methyl]benzene-1,2-diol

Systemtic Name: 4-[[(4S)-3-methyl-4-(phenylmethyl)-4,5-dihydro-1H-imidazol-3-ium-2-yl]methyl]benzene-1,2-diol Openeye Name: 4-[[(4S)-4-benzyl-3-methyl-4,5-dihydro-1H-imidazol-3-ium-2-yl]methyl]benzene-1,2-diol CAS Name: 4-[[(4S)-3-methyl-4-(phenylmethyl)-4,5-dihydro-1H-imidazol-3-ium-2-yl]methyl]benzene-1,2-diol IUPAC Name: 4-[[(4S)-4-benzyl-3-methyl-4,5-dihydro-1H-imidazol-3-ium-2-yl]methyl]benzene-1,2-diol Traditional Name: 4-[[(5S)-5-benzyl-1-methyl-2-imidazolin-1-ium-2-yl]methyl]pyrocatechol Formula: C18H21N2O2+ MolecularWeight: 297.37154

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NCC1CC2=CC=CC=C2)CC3=CC(=C(C=C3)O)O

Isomeric SMILES

C[N+]1=C(NC[C@@H]1CC2=CC=CC=C2)CC3=CC(=C(C=C3)O)O

InChI

InChI=1S/C18H20N2O2/c1-20-15(9-13-5-3-2-4-6-13)12-19-18(20)11-14-7-8-16(21)17(22)10-14/h2-8,10,15,21-22H,9,11-12H2,1H3/p+1/t15-/m0/s1