[2-[(4-iodophenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium

Systemtic Name: [2-[(4-iodophenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: [2-(4-iodoanilino)-2-oxo-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: [2-(4-iodoanilino)-2-oxoethyl]-methyl-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: [2-(4-iodoanilino)-2-oxoethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: [2-(4-iodoanilino)-2-keto-ethyl]-methyl-[4-(methylthio)benzyl]ammonium Formula: C17H20IN2OS+ MolecularWeight: 427.32297

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)SC)CC(=O)NC2=CC=C(C=C2)I

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)SC)CC(=O)NC2=CC=C(C=C2)I

InChI

InChI=1S/C17H19IN2OS/c1-20(11-13-3-9-16(22-2)10-4-13)12-17(21)19-15-7-5-14(18)6-8-15/h3-10H,11-12H2,1-2H3,(H,19,21)/p+1