4-phenyl-1-[(Z)-2-phenylsulfanylprop-1-enyl]pyridin-1-ium; 4-phenyl-1-(2-phenylsulfanylprop-2-enyl)pyridin-1-ium; diperchlorate

Systemtic Name: 4-phenyl-1-[(Z)-2-phenylsulfanylprop-1-enyl]pyridin-1-ium; 4-phenyl-1-(2-phenylsulfanylprop-2-enyl)pyridin-1-ium; diperchlorate Openeye Name: 4-phenyl-1-(2-phenylsulfanylallyl)pyridin-1-ium; 4-phenyl-1-[(Z)-2-phenylsulfanylprop-1-enyl]pyridin-1-ium; diperchlorate CAS Name: 4-phenyl-1-[(Z)-2-(phenylthio)prop-1-enyl]pyridin-1-ium; 4-phenyl-1-[2-(phenylthio)prop-2-enyl]pyridin-1-ium; diperchlorate IUPAC Name: 4-phenyl-1-[(Z)-2-phenylsulfanylprop-1-enyl]pyridin-1-ium; 4-phenyl-1-(2-phenylsulfanylprop-2-enyl)pyridin-1-ium; diperchlorate Traditional Name: 4-phenyl-1-[2-(phenylthio)allyl]pyridin-1-ium; 4-phenyl-1-[(Z)-2-(phenylthio)prop-1-enyl]pyridin-1-ium; diperchlorate Formula: C40H36Cl2N2O8S2 MolecularWeight: 807.75844

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C[N+]1=CC=C(C=C1)C2=CC=CC=C2)SC3=CC=CC=C3.C=C(C[N+]1=CC=C(C=C1)C2=CC=CC=C2)SC3=CC=CC=C3.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C/C(=C/[N+]1=CC=C(C=C1)C2=CC=CC=C2)/SC3=CC=CC=C3.C=C(C[N+]1=CC=C(C=C1)C2=CC=CC=C2)SC3=CC=CC=C3.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/2C20H18NS.2ClHO4/c2*1-17(22-20-10-6-3-7-11-20)16-21-14-12-19(13-15-21)18-8-4-2-5-9-18;2*2-1(3,4)5/h2-16H,1H3;2-15H,1,16H2;2*(H,2,3,4,5)/q2*+1;;/p-2/b17-16-;;;