4-[(E)-2-(3,3-dimethyl-1-octadecyl-indol-1-ium-2-yl)ethenyl]-N,N-dimethyl-aniline perchlorate

Systemtic Name: 4-[(E)-2-(3,3-dimethyl-1-octadecyl-indol-1-ium-2-yl)ethenyl]-N,N-dimethyl-aniline perchlorate Openeye Name: 4-[(E)-2-(3,3-dimethyl-1-octadecyl-indol-1-ium-2-yl)vinyl]-N,N-dimethyl-aniline perchlorate CAS Name: 4-[(E)-2-(3,3-dimethyl-1-octadecyl-2-indol-1-iumyl)ethenyl]-N,N-dimethylaniline perchlorate IUPAC Name: 4-[(E)-2-(3,3-dimethyl-1-octadecylindol-1-ium-2-yl)ethenyl]-N,N-dimethylaniline perchlorate Traditional Name: [4-[(E)-2-(3,3-dimethyl-1-stearyl-indol-1-ium-2-yl)vinyl]phenyl]-dimethyl-amine perchlorate Formula: C38H59ClN2O4 MolecularWeight: 643.33906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+]1=C(C(C2=CC=CC=C21)(C)C)C=CC3=CC=C(C=C3)N(C)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+]1=C(C(C2=CC=CC=C21)(C)C)/C=C/C3=CC=C(C=C3)N(C)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C38H59N2.ClHO4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-32-40-36-25-22-21-24-35(36)38(2,3)37(40)31-28-33-26-29-34(30-27-33)39(4)5;2-1(3,4)5/h21-22,24-31H,6-20,23,32H2,1-5H3;(H,2,3,4,5)/q+1;/p-1