N,N-dimethyl-1-[2-(phenylmethylsulfanyl)prop-2-enyl]pyridin-1-ium-4-amine

Systemtic Name: N,N-dimethyl-1-[2-(phenylmethylsulfanyl)prop-2-enyl]pyridin-1-ium-4-amine Openeye Name: 1-(2-benzylsulfanylallyl)-N,N-dimethyl-pyridin-1-ium-4-amine CAS Name: N,N-dimethyl-1-[2-(phenylmethylthio)prop-2-enyl]-4-pyridin-1-iumamine IUPAC Name: 1-(2-benzylsulfanylprop-2-enyl)-N,N-dimethylpyridin-1-ium-4-amine Traditional Name: [1-[2-(benzylthio)allyl]pyridin-1-ium-4-yl]-dimethyl-amine Formula: C17H21N2S+ MolecularWeight: 285.42704

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=[N+](C=C1)CC(=C)SCC2=CC=CC=C2

Isomeric SMILES

CN(C)C1=CC=[N+](C=C1)CC(=C)SCC2=CC=CC=C2

InChI

InChI=1S/C17H21N2S/c1-15(20-14-16-7-5-4-6-8-16)13-19-11-9-17(10-12-19)18(2)3/h4-12H,1,13-14H2,2-3H3/q+1