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

Systemtic Name: (4-cyanophenyl)methyl-methyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: (4-cyanophenyl)methyl-methyl-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]ammonium CAS Name: (4-cyanophenyl)methyl-methyl-[2-[2-(methylthio)anilino]-2-oxoethyl]ammonium IUPAC Name: (4-cyanophenyl)methyl-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium Traditional Name: (4-cyanobenzyl)-[2-keto-2-[2-(methylthio)anilino]ethyl]-methyl-ammonium Formula: C18H20N3OS+ MolecularWeight: 326.4359

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)C#N)CC(=O)NC2=CC=CC=C2SC

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)C#N)CC(=O)NC2=CC=CC=C2SC

InChI

InChI=1S/C18H19N3OS/c1-21(12-15-9-7-14(11-19)8-10-15)13-18(22)20-16-5-3-4-6-17(16)23-2/h3-10H,12-13H2,1-2H3,(H,20,22)/p+1