2-ethyl-1-(2,4,6-triphenylphenyl)isoquinolin-2-ium perchlorate

Systemtic Name: 2-ethyl-1-(2,4,6-triphenylphenyl)isoquinolin-2-ium perchlorate Openeye Name: 2-ethyl-1-(2,4,6-triphenylphenyl)isoquinolin-2-ium perchlorate CAS Name: 2-ethyl-1-(2,4,6-triphenylphenyl)isoquinolin-2-ium perchlorate IUPAC Name: 2-ethyl-1-(2,4,6-triphenylphenyl)isoquinolin-2-ium perchlorate Traditional Name: 2-ethyl-1-(2,4,6-triphenylphenyl)isoquinolin-2-ium perchlorate Formula: C35H28ClNO4 MolecularWeight: 562.05412

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(C2=CC=CC=C2C=C1)C3=C(C=C(C=C3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC[N+]1=C(C2=CC=CC=C2C=C1)C3=C(C=C(C=C3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C35H28N.ClHO4/c1-2-36-23-22-29-20-12-13-21-31(29)35(36)34-32(27-16-8-4-9-17-27)24-30(26-14-6-3-7-15-26)25-33(34)28-18-10-5-11-19-28;2-1(3,4)5/h3-25H,2H2,1H3;(H,2,3,4,5)/q+1;/p-1