N,N-dimethyl-1-(2-phenylsulfanylprop-2-enyl)pyridin-1-ium-4-amine perchlorate

Systemtic Name: N,N-dimethyl-1-(2-phenylsulfanylprop-2-enyl)pyridin-1-ium-4-amine perchlorate Openeye Name: N,N-dimethyl-1-(2-phenylsulfanylallyl)pyridin-1-ium-4-amine perchlorate CAS Name: N,N-dimethyl-1-[2-(phenylthio)prop-2-enyl]-4-pyridin-1-iumamine perchlorate IUPAC Name: N,N-dimethyl-1-(2-phenylsulfanylprop-2-enyl)pyridin-1-ium-4-amine perchlorate Traditional Name: dimethyl-[1-[2-(phenylthio)allyl]pyridin-1-ium-4-yl]amine perchlorate Formula: C16H19ClN2O4S MolecularWeight: 370.85106

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=[N+](C=C1)CC(=C)SC2=CC=CC=C2.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CN(C)C1=CC=[N+](C=C1)CC(=C)SC2=CC=CC=C2.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C16H19N2S.ClHO4/c1-14(19-16-7-5-4-6-8-16)13-18-11-9-15(10-12-18)17(2)3;2-1(3,4)5/h4-12H,1,13H2,2-3H3;(H,2,3,4,5)/q+1;/p-1