dimethyl-(3-oxidanylidene-3-phenylazanyl-propyl)sulfanium; 4-methylbenzenesulfonate

Systemtic Name: dimethyl-(3-oxidanylidene-3-phenylazanyl-propyl)sulfanium; 4-methylbenzenesulfonate Openeye Name: (3-anilino-3-oxo-propyl)-dimethyl-sulfonium; 4-methylbenzenesulfonate CAS Name: (3-anilino-3-oxopropyl)-dimethylsulfonium; 4-methylbenzenesulfonate IUPAC Name: (3-anilino-3-oxopropyl)-dimethylsulfanium; 4-methylbenzenesulfonate Traditional Name: (3-anilino-3-keto-propyl)-dimethyl-sulfonium tosylate Formula: C18H23NO4S2 MolecularWeight: 381.50952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[S+](C)CCC(=O)NC1=CC=CC=C1

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[S+](C)CCC(=O)NC1=CC=CC=C1

InChI

InChI=1S/C11H15NOS.C7H8O3S/c1-14(2)9-8-11(13)12-10-6-4-3-5-7-10;1-6-2-4-7(5-3-6)11(8,9)10/h3-7H,8-9H2,1-2H3;2-5H,1H3,(H,8,9,10)