3-[(S)-(4,5-dihydro-1H-imidazol-3-ium-2-ylamino)-(4-methylphenyl)methyl]phenol

Systemtic Name: 3-[(S)-(4,5-dihydro-1H-imidazol-3-ium-2-ylamino)-(4-methylphenyl)methyl]phenol Openeye Name: 3-[(S)-(4,5-dihydro-1H-imidazol-3-ium-2-ylamino)-(p-tolyl)methyl]phenol CAS Name: 3-[(S)-(4,5-dihydro-1H-imidazol-3-ium-2-ylamino)-(4-methylphenyl)methyl]phenol IUPAC Name: 3-[(S)-(4,5-dihydro-1H-imidazol-3-ium-2-ylamino)-(4-methylphenyl)methyl]phenol Traditional Name: 3-[(S)-(2-imidazolin-1-ium-2-ylamino)-(p-tolyl)methyl]phenol Formula: C17H20N3O+ MolecularWeight: 282.3602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC(=CC=C2)O)NC3=[NH+]CCN3

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H](C2=CC(=CC=C2)O)NC3=[NH+]CCN3

InChI

InChI=1S/C17H19N3O/c1-12-5-7-13(8-6-12)16(20-17-18-9-10-19-17)14-3-2-4-15(21)11-14/h2-8,11,16,21H,9-10H2,1H3,(H2,18,19,20)/p+1/t16-/m0/s1