1-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-phenylsulfanyl-propan-2-ol perchlorate

Systemtic Name: 1-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-phenylsulfanyl-propan-2-ol perchlorate Openeye Name: 1-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-phenylsulfanyl-propan-2-ol perchlorate CAS Name: 1-[4-(dimethylamino)-1-pyridin-1-iumyl]-3-(phenylthio)-2-propanol perchlorate IUPAC Name: 1-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-phenylsulfanylpropan-2-ol perchlorate Traditional Name: 1-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-(phenylthio)propan-2-ol perchlorate Formula: C16H21ClN2O5S MolecularWeight: 388.86634

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=[N+](C=C1)CC(CSC2=CC=CC=C2)O.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CN(C)C1=CC=[N+](C=C1)CC(CSC2=CC=CC=C2)O.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C16H21N2OS.ClHO4/c1-17(2)14-8-10-18(11-9-14)12-15(19)13-20-16-6-4-3-5-7-16;2-1(3,4)5/h3-11,15,19H,12-13H2,1-2H3;(H,2,3,4,5)/q+1;/p-1