[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]azanium; 4-methylbenzenesulfonate

Systemtic Name: [3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]azanium; 4-methylbenzenesulfonate Openeye Name: [3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ammonium; 4-methylbenzenesulfonate CAS Name: [3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ammonium; 4-methylbenzenesulfonate IUPAC Name: [3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]azanium; 4-methylbenzenesulfonate Traditional Name: [3-(2-imidazolin-2-yl)phenyl]ammonium tosylate Formula: C16H19N3O3S MolecularWeight: 333.40536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CN=C(N1)C2=CC(=CC=C2)[NH3+]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CN=C(N1)C2=CC(=CC=C2)[NH3+]

InChI

InChI=1S/C9H11N3.C7H8O3S/c10-8-3-1-2-7(6-8)9-11-4-5-12-9;1-6-2-4-7(5-3-6)11(8,9)10/h1-3,6H,4-5,10H2,(H,11,12);2-5H,1H3,(H,8,9,10)