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

Systemtic Name: methyl-[(4-methylsulfanylphenyl)methyl]-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]azanium Openeye Name: [2-(benzylamino)-2-oxo-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: methyl-[[4-(methylthio)phenyl]methyl]-[2-oxo-2-[(phenylmethyl)amino]ethyl]ammonium IUPAC Name: [2-(benzylamino)-2-oxoethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: [2-(benzylamino)-2-keto-ethyl]-methyl-[4-(methylthio)benzyl]ammonium Formula: C18H23N2OS+ MolecularWeight: 315.45302

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)SC)CC(=O)NCC2=CC=CC=C2

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)SC)CC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C18H22N2OS/c1-20(13-16-8-10-17(22-2)11-9-16)14-18(21)19-12-15-6-4-3-5-7-15/h3-11H,12-14H2,1-2H3,(H,19,21)/p+1