(E)-1-(methylamino)-4-phenyl-1-pyridin-1-ium-1-ylsulfanyl-but-3-en-2-one

Systemtic Name: (E)-1-(methylamino)-4-phenyl-1-pyridin-1-ium-1-ylsulfanyl-but-3-en-2-one Openeye Name: (E)-1-(methylamino)-4-phenyl-1-pyridin-1-ium-1-ylsulfanyl-but-3-en-2-one CAS Name: (E)-1-(methylamino)-4-phenyl-1-(1-pyridin-1-iumylthio)-3-buten-2-one IUPAC Name: (E)-1-(methylamino)-4-phenyl-1-pyridin-1-ium-1-ylsulfanylbut-3-en-2-one Traditional Name: (E)-1-(methylamino)-4-phenyl-1-(pyridin-1-ium-1-ylthio)but-3-en-2-one Formula: C16H17N2OS+ MolecularWeight: 285.38398

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Descriptors Computed from Structure

Canonical SMILES:

CNC(C(=O)C=CC1=CC=CC=C1)S[N+]2=CC=CC=C2

Isomeric SMILES

CNC(C(=O)/C=C/C1=CC=CC=C1)S[N+]2=CC=CC=C2

InChI

InChI=1S/C16H17N2OS/c1-17-16(20-18-12-6-3-7-13-18)15(19)11-10-14-8-4-2-5-9-14/h2-13,16-17H,1H3/q+1/b11-10+