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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C[N+]1=CC=C(C=C1)N(C)C)SCC2=CC=CC=C2

Isomeric SMILES

C/C(=C/[N+]1=CC=C(C=C1)N(C)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/h4-13H,14H2,1-3H3/q+1/b15-13-