4-methylbenzenesulfonate; 2,2,3-trimethyl-4-propyl-carbazol-9-ium

Systemtic Name: 4-methylbenzenesulfonate; 2,2,3-trimethyl-4-propyl-carbazol-9-ium Openeye Name: 4-methylbenzenesulfonate; 2,2,3-trimethyl-4-propyl-carbazol-9-ium CAS Name: 4-methylbenzenesulfonate; 2,2,3-trimethyl-4-propylcarbazol-9-ium IUPAC Name: 4-methylbenzenesulfonate; 2,2,3-trimethyl-4-propylcarbazol-9-ium Traditional Name: 2,2,3-trimethyl-4-propyl-carbazol-9-ium tosylate Formula: C25H29NO3S MolecularWeight: 423.56766

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(C=C2C1=C3C=CC=CC3=[NH+]2)(C)C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCC1=C(C(C=C2C1=C3C=CC=CC3=[NH+]2)(C)C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C18H21N.C7H8O3S/c1-5-8-13-12(2)18(3,4)11-16-17(13)14-9-6-7-10-15(14)19-16;1-6-2-4-7(5-3-6)11(8,9)10/h6-7,9-11H,5,8H2,1-4H3;2-5H,1H3,(H,8,9,10)