3-ethyl-1,1,2-trimethyl-benzo[e]indol-3-ium; 4-methylbenzenesulfonate

Systemtic Name: 3-ethyl-1,1,2-trimethyl-benzo[e]indol-3-ium; 4-methylbenzenesulfonate Openeye Name: 3-ethyl-1,1,2-trimethyl-benzo[e]indol-3-ium; 4-methylbenzenesulfonate CAS Name: 3-ethyl-1,1,2-trimethylbenzo[e]indol-3-ium; 4-methylbenzenesulfonate IUPAC Name: 3-ethyl-1,1,2-trimethylbenzo[e]indol-3-ium; 4-methylbenzenesulfonate Traditional Name: 3-ethyl-1,1,2-trimethyl-benz[e]indol-3-ium tosylate Formula: C24H27NO3S MolecularWeight: 409.54108

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(C(C2=C1C=CC3=CC=CC=C32)(C)C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1=C(C(C2=C1C=CC3=CC=CC=C32)(C)C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C17H20N.C7H8O3S/c1-5-18-12(2)17(3,4)16-14-9-7-6-8-13(14)10-11-15(16)18;1-6-2-4-7(5-3-6)11(8,9)10/h6-11H,5H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1