(Z)-4-(phenylmethylsulfanyl)-4-(prop-2-enylamino)-3-pyridin-1-ium-1-yl-but-3-en-2-one

Systemtic Name: (Z)-4-(phenylmethylsulfanyl)-4-(prop-2-enylamino)-3-pyridin-1-ium-1-yl-but-3-en-2-one Openeye Name: (Z)-4-(allylamino)-4-benzylsulfanyl-3-pyridin-1-ium-1-yl-but-3-en-2-one CAS Name: (Z)-4-(phenylmethylthio)-4-(prop-2-enylamino)-3-(1-pyridin-1-iumyl)-3-buten-2-one IUPAC Name: (Z)-4-benzylsulfanyl-4-(prop-2-enylamino)-3-pyridin-1-ium-1-ylbut-3-en-2-one Traditional Name: (Z)-4-(allylamino)-4-(benzylthio)-3-pyridin-1-ium-1-yl-but-3-en-2-one Formula: C19H21N2OS+ MolecularWeight: 325.44784

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C(NCC=C)SCC1=CC=CC=C1)[N+]2=CC=CC=C2

Isomeric SMILES

CC(=O)/C(=C(\NCC=C)/SCC1=CC=CC=C1)/[N+]2=CC=CC=C2

InChI

InChI=1S/C19H20N2OS/c1-3-12-20-19(23-15-17-10-6-4-7-11-17)18(16(2)22)21-13-8-5-9-14-21/h3-11,13-14H,1,12,15H2,2H3/p+1