6a,7,8,9,10,11-hexahydro-6H-benzo[b]quinolizin-5-ium-10a-ol; 4-methylbenzenesulfonate

Systemtic Name: 6a,7,8,9,10,11-hexahydro-6H-benzo[b]quinolizin-5-ium-10a-ol; 4-methylbenzenesulfonate Openeye Name: 6a,7,8,9,10,11-hexahydro-6H-benzo[b]quinolizin-5-ium-10a-ol; 4-methylbenzenesulfonate CAS Name: 6a,7,8,9,10,11-hexahydro-6H-benzo[b]quinolizin-5-ium-10a-ol; 4-methylbenzenesulfonate IUPAC Name: 6a,7,8,9,10,11-hexahydro-6H-benzo[b]quinolizin-5-ium-10a-ol; 4-methylbenzenesulfonate Traditional Name: 6a,7,8,9,10,11-hexahydro-6H-benzo[b]quinolizin-5-ium-10a-ol tosylate Formula: C20H25NO4S MolecularWeight: 375.4818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CCC2(CC3=CC=CC=[N+]3CC2C1)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CCC2(CC3=CC=CC=[N+]3CC2C1)O

InChI

InChI=1S/C13H18NO.C7H8O3S/c15-13-7-3-1-5-11(13)10-14-8-4-2-6-12(14)9-13;1-6-2-4-7(5-3-6)11(8,9)10/h2,4,6,8,11,15H,1,3,5,7,9-10H2;2-5H,1H3,(H,8,9,10)/q+1;/p-1