[azanyl-[(6-methyl-3-oxidanyl-2-phenethyl-pyridin-1-ium-4-yl)methylsulfanyl]methylidene]azanium

Systemtic Name: [azanyl-[(6-methyl-3-oxidanyl-2-phenethyl-pyridin-1-ium-4-yl)methylsulfanyl]methylidene]azanium Openeye Name: [amino-[(3-hydroxy-6-methyl-2-phenethyl-pyridin-1-ium-4-yl)methylsulfanyl]methylene]ammonium CAS Name: [amino-[(3-hydroxy-6-methyl-2-phenethyl-4-pyridin-1-iumyl)methylthio]methylidene]ammonium IUPAC Name: [amino-[(3-hydroxy-6-methyl-2-phenethylpyridin-1-ium-4-yl)methylsulfanyl]methylidene]azanium Traditional Name: [amino-[(3-hydroxy-6-methyl-2-phenethyl-pyridin-1-ium-4-yl)methylthio]methylene]ammonium Formula: C16H21N3OS+2 MolecularWeight: 303.42244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C(=C(C(=C1)CSC(=[NH2+])N)O)CCC2=CC=CC=C2

Isomeric SMILES

CC1=[NH+]C(=C(C(=C1)CSC(=[NH2+])N)O)CCC2=CC=CC=C2

InChI

InChI=1S/C16H19N3OS/c1-11-9-13(10-21-16(17)18)15(20)14(19-11)8-7-12-5-3-2-4-6-12/h2-6,9,20H,7-8,10H2,1H3,(H3,17,18)/p+2