1,1-dimethyl-3-phenyl-benzo[f]indol-1-ium; 4-methylbenzenesulfonate

Systemtic Name: 1,1-dimethyl-3-phenyl-benzo[f]indol-1-ium; 4-methylbenzenesulfonate Openeye Name: 1,1-dimethyl-3-phenyl-benzo[f]indol-1-ium; 4-methylbenzenesulfonate CAS Name: 1,1-dimethyl-3-phenylbenzo[f]indol-1-ium; 4-methylbenzenesulfonate IUPAC Name: 1,1-dimethyl-3-phenylbenzo[f]indol-1-ium; 4-methylbenzenesulfonate Traditional Name: 1,1-dimethyl-3-phenyl-benz[f]indol-1-ium tosylate Formula: C27H25NO3S MolecularWeight: 443.5573

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1(C=C(C2=CC3=CC=CC=C3C=C21)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1(C=C(C2=CC3=CC=CC=C3C=C21)C4=CC=CC=C4)C

InChI

InChI=1S/C20H18N.C7H8O3S/c1-21(2)14-19(15-8-4-3-5-9-15)18-12-16-10-6-7-11-17(16)13-20(18)21;1-6-2-4-7(5-3-6)11(8,9)10/h3-14H,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1