(Z)-3-(methylamino)-1-phenyl-3-(phenylmethylsulfanyl)-2-pyridin-1-ium-1-yl-prop-2-en-1-one

Systemtic Name: (Z)-3-(methylamino)-1-phenyl-3-(phenylmethylsulfanyl)-2-pyridin-1-ium-1-yl-prop-2-en-1-one Openeye Name: (Z)-3-benzylsulfanyl-3-(methylamino)-1-phenyl-2-pyridin-1-ium-1-yl-prop-2-en-1-one CAS Name: (Z)-3-(methylamino)-1-phenyl-3-(phenylmethylthio)-2-(1-pyridin-1-iumyl)-2-propen-1-one IUPAC Name: (Z)-3-benzylsulfanyl-3-(methylamino)-1-phenyl-2-pyridin-1-ium-1-ylprop-2-en-1-one Traditional Name: (Z)-3-(benzylthio)-3-(methylamino)-1-phenyl-2-pyridin-1-ium-1-yl-prop-2-en-1-one Formula: C22H21N2OS+ MolecularWeight: 361.47994

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=C(C(=O)C1=CC=CC=C1)[N+]2=CC=CC=C2)SCC3=CC=CC=C3

Isomeric SMILES

CN/C(=C(\C(=O)C1=CC=CC=C1)/[N+]2=CC=CC=C2)/SCC3=CC=CC=C3

InChI

InChI=1S/C22H20N2OS/c1-23-22(26-17-18-11-5-2-6-12-18)20(24-15-9-4-10-16-24)21(25)19-13-7-3-8-14-19/h2-16H,17H2,1H3/p+1