3-butyl-1,1,2-trimethyl-5-(trifluoromethyl)benzo[e]indol-3-ium perchlorate

Systemtic Name: 3-butyl-1,1,2-trimethyl-5-(trifluoromethyl)benzo[e]indol-3-ium perchlorate Openeye Name: 3-butyl-1,1,2-trimethyl-5-(trifluoromethyl)benzo[e]indol-3-ium perchlorate CAS Name: 3-butyl-1,1,2-trimethyl-5-(trifluoromethyl)benzo[e]indol-3-ium perchlorate IUPAC Name: 3-butyl-1,1,2-trimethyl-5-(trifluoromethyl)benzo[e]indol-3-ium perchlorate Traditional Name: 3-butyl-1,1,2-trimethyl-5-(trifluoromethyl)benz[e]indol-3-ium perchlorate Formula: C20H23ClF3NO4 MolecularWeight: 433.84913

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=C(C(C2=C1C=C(C3=CC=CC=C32)C(F)(F)F)(C)C)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCCC[N+]1=C(C(C2=C1C=C(C3=CC=CC=C32)C(F)(F)F)(C)C)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C20H23F3N.ClHO4/c1-5-6-11-24-13(2)19(3,4)18-15-10-8-7-9-14(15)16(12-17(18)24)20(21,22)23;2-1(3,4)5/h7-10,12H,5-6,11H2,1-4H3;(H,2,3,4,5)/q+1;/p-1