methyl-[methylsulfanyl-(prop-2-enylamino)methylidene]-(pyridin-3-ylmethyl)azanium

Systemtic Name: methyl-[methylsulfanyl-(prop-2-enylamino)methylidene]-(pyridin-3-ylmethyl)azanium Openeye Name: [(allylamino)-methylsulfanyl-methylene]-methyl-(3-pyridylmethyl)ammonium CAS Name: methyl-[(methylthio)-(prop-2-enylamino)methylidene]-(3-pyridinylmethyl)ammonium IUPAC Name: methyl-[methylsulfanyl-(prop-2-enylamino)methylidene]-(pyridin-3-ylmethyl)azanium Traditional Name: [(allylamino)-(methylthio)methylene]-methyl-(3-pyridylmethyl)ammonium Formula: C12H18N3S+ MolecularWeight: 236.35642

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](=C(NCC=C)SC)CC1=CN=CC=C1

Isomeric SMILES

C[N+](=C(NCC=C)SC)CC1=CN=CC=C1

InChI

InChI=1S/C12H17N3S/c1-4-7-14-12(16-3)15(2)10-11-6-5-8-13-9-11/h4-6,8-9H,1,7,10H2,2-3H3/p+1