2-methyl-4,8b-dihydro-3H-[1,2]oxazireno[3,2-a]isoquinolin-2-ium; 4-methylbenzenesulfonate

Systemtic Name: 2-methyl-4,8b-dihydro-3H-[1,2]oxazireno[3,2-a]isoquinolin-2-ium; 4-methylbenzenesulfonate Openeye Name: 2-methyl-4,8b-dihydro-3H-oxazireno[3,2-a]isoquinolin-2-ium; 4-methylbenzenesulfonate CAS Name: 2-methyl-4,8b-dihydro-3H-oxazirino[3,2-a]isoquinolin-2-ium; 4-methylbenzenesulfonate IUPAC Name: 2-methyl-4,8b-dihydro-3H-oxazireno[3,2-a]isoquinolin-2-ium; 4-methylbenzenesulfonate Traditional Name: 2-methyl-4,8b-dihydro-3H-oxazirin[3,2-a]isoquinolin-2-ium tosylate Formula: C17H19NO4S MolecularWeight: 333.40206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]12CCC3=CC=CC=C3C1O2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]12CCC3=CC=CC=C3C1O2

InChI

InChI=1S/C10H12NO.C7H8O3S/c1-11-7-6-8-4-2-3-5-9(8)10(11)12-11;1-6-2-4-7(5-3-6)11(8,9)10/h2-5,10H,6-7H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1