N,N-dimethyl-1-[(E)-3-phenylsulfanylprop-2-enyl]pyridin-1-ium-4-amine perchlorate

Systemtic Name: N,N-dimethyl-1-[(E)-3-phenylsulfanylprop-2-enyl]pyridin-1-ium-4-amine perchlorate Openeye Name: N,N-dimethyl-1-[(E)-3-phenylsulfanylallyl]pyridin-1-ium-4-amine perchlorate CAS Name: N,N-dimethyl-1-[(E)-3-(phenylthio)prop-2-enyl]-4-pyridin-1-iumamine perchlorate IUPAC Name: N,N-dimethyl-1-[(E)-3-phenylsulfanylprop-2-enyl]pyridin-1-ium-4-amine perchlorate Traditional Name: dimethyl-[1-[(E)-3-(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=CSC2=CC=CC=C2.[O-]Cl(=O)(=O)=O

Isomeric SMILES

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

InChI

InChI=1S/C16H19N2S.ClHO4/c1-17(2)15-9-12-18(13-10-15)11-6-14-19-16-7-4-3-5-8-16;2-1(3,4)5/h3-10,12-14H,11H2,1-2H3;(H,2,3,4,5)/q+1;/p-1/b14-6+;