N,N-dimethyl-3-phenylsulfanyl-propan-1-amine; 4-methylbenzenesulfonic acid

Systemtic Name: N,N-dimethyl-3-phenylsulfanyl-propan-1-amine; 4-methylbenzenesulfonic acid Openeye Name: N,N-dimethyl-3-phenylsulfanyl-propan-1-amine; 4-methylbenzenesulfonic acid CAS Name: N,N-dimethyl-3-(phenylthio)-1-propanamine; 4-methylbenzenesulfonic acid IUPAC Name: N,N-dimethyl-3-phenylsulfanylpropan-1-amine; 4-methylbenzenesulfonic acid Traditional Name: dimethyl-[3-(phenylthio)propyl]amine; tosylic acid Formula: C18H25NO3S2 MolecularWeight: 367.526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CN(C)CCCSC1=CC=CC=C1

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CN(C)CCCSC1=CC=CC=C1

InChI

InChI=1S/C11H17NS.C7H8O3S/c1-12(2)9-6-10-13-11-7-4-3-5-8-11;1-6-2-4-7(5-3-6)11(8,9)10/h3-5,7-8H,6,9-10H2,1-2H3;2-5H,1H3,(H,8,9,10)