2-(4-tert-butylphenyl)-1,3,3-trimethyl-indol-1-ium perchlorate

Systemtic Name: 2-(4-tert-butylphenyl)-1,3,3-trimethyl-indol-1-ium perchlorate Openeye Name: 2-(4-tert-butylphenyl)-1,3,3-trimethyl-indol-1-ium perchlorate CAS Name: 2-(4-tert-butylphenyl)-1,3,3-trimethylindol-1-ium perchlorate IUPAC Name: 2-(4-tert-butylphenyl)-1,3,3-trimethylindol-1-ium perchlorate Traditional Name: 2-(4-tert-butylphenyl)-1,3,3-trimethyl-indol-1-ium perchlorate Formula: C21H26ClNO4 MolecularWeight: 391.88844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2[N+](=C1C3=CC=C(C=C3)C(C)(C)C)C)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1(C2=CC=CC=C2[N+](=C1C3=CC=C(C=C3)C(C)(C)C)C)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C21H26N.ClHO4/c1-20(2,3)16-13-11-15(12-14-16)19-21(4,5)17-9-7-8-10-18(17)22(19)6;2-1(3,4)5/h7-14H,1-6H3;(H,2,3,4,5)/q+1;/p-1