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

Systemtic Name: (Z)-4-(prop-2-enylamino)-3-pyridin-1-ium-1-yl-4-sulfanyl-but-3-en-2-one Openeye Name: (Z)-4-(allylamino)-3-pyridin-1-ium-1-yl-4-sulfanyl-but-3-en-2-one CAS Name: (Z)-4-mercapto-4-(prop-2-enylamino)-3-(1-pyridin-1-iumyl)-3-buten-2-one IUPAC Name: (Z)-4-(prop-2-enylamino)-3-pyridin-1-ium-1-yl-4-sulfanylbut-3-en-2-one Traditional Name: (Z)-4-(allylamino)-4-mercapto-3-pyridin-1-ium-1-yl-but-3-en-2-one Formula: C12H15N2OS+ MolecularWeight: 235.3253

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C(NCC=C)S)[N+]1=CC=CC=C1

Isomeric SMILES

CC(=O)/C(=C(\NCC=C)/S)/[N+]1=CC=CC=C1

InChI

InChI=1S/C12H14N2OS/c1-3-7-13-12(16)11(10(2)15)14-8-5-4-6-9-14/h3-6,8-9H,1,7H2,2H3,(H-,13,15,16)/p+1