1-(4-phenylpyridin-1-ium-1-yl)-3-phenylsulfanyl-propan-2-ol perchlorate

Systemtic Name: 1-(4-phenylpyridin-1-ium-1-yl)-3-phenylsulfanyl-propan-2-ol perchlorate Openeye Name: 1-(4-phenylpyridin-1-ium-1-yl)-3-phenylsulfanyl-propan-2-ol perchlorate CAS Name: 1-(4-phenyl-1-pyridin-1-iumyl)-3-(phenylthio)-2-propanol perchlorate IUPAC Name: 1-(4-phenylpyridin-1-ium-1-yl)-3-phenylsulfanylpropan-2-ol perchlorate Traditional Name: 1-(4-phenylpyridin-1-ium-1-yl)-3-(phenylthio)propan-2-ol perchlorate Formula: C20H20ClNO5S MolecularWeight: 421.8945

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=[N+](C=C2)CC(CSC3=CC=CC=C3)O.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=[N+](C=C2)CC(CSC3=CC=CC=C3)O.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C20H20NOS.ClHO4/c22-19(16-23-20-9-5-2-6-10-20)15-21-13-11-18(12-14-21)17-7-3-1-4-8-17;2-1(3,4)5/h1-14,19,22H,15-16H2;(H,2,3,4,5)/q+1;/p-1