1,2,3,4,4a,11-hexahydrobenzo[c]quinolizin-11-ium; 4-methylbenzenesulfonate

Systemtic Name: 1,2,3,4,4a,11-hexahydrobenzo[c]quinolizin-11-ium; 4-methylbenzenesulfonate Openeye Name: 1,2,3,4,4a,11-hexahydrobenzo[c]quinolizin-11-ium; 4-methylbenzenesulfonate CAS Name: 1,2,3,4,4a,11-hexahydrobenzo[c]quinolizin-11-ium; 4-methylbenzenesulfonate IUPAC Name: 1,2,3,4,4a,11-hexahydrobenzo[c]quinolizin-11-ium; 4-methylbenzenesulfonate Traditional Name: 1,2,3,4,4a,11-hexahydrobenzo[c]quinolizin-11-ium tosylate Formula: C20H23NO3S MolecularWeight: 357.46652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CC[NH+]2C(C1)C=CC3=CC=CC=C32

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CC[NH+]2C(C1)C=CC3=CC=CC=C32

InChI

InChI=1S/C13H15N.C7H8O3S/c1-2-7-13-11(5-1)8-9-12-6-3-4-10-14(12)13;1-6-2-4-7(5-3-6)11(8,9)10/h1-2,5,7-9,12H,3-4,6,10H2;2-5H,1H3,(H,8,9,10)