[(3S)-3-[2-(4-chlorophenyl)sulfanylphenyl]-3-cyano-propyl]-dimethyl-azanium

Systemtic Name: [(3S)-3-[2-(4-chlorophenyl)sulfanylphenyl]-3-cyano-propyl]-dimethyl-azanium Openeye Name: [(3S)-3-[2-(4-chlorophenyl)sulfanylphenyl]-3-cyano-propyl]-dimethyl-ammonium CAS Name: [(3S)-3-[2-[(4-chlorophenyl)thio]phenyl]-3-cyanopropyl]-dimethylammonium IUPAC Name: [(3S)-3-[2-(4-chlorophenyl)sulfanylphenyl]-3-cyanopropyl]-dimethylazanium Traditional Name: [(3S)-3-[2-[(4-chlorophenyl)thio]phenyl]-3-cyano-propyl]-dimethyl-ammonium Formula: C18H20ClN2S+ MolecularWeight: 331.8828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCC(C#N)C1=CC=CC=C1SC2=CC=C(C=C2)Cl

Isomeric SMILES

C[NH+](C)CC[C@H](C#N)C1=CC=CC=C1SC2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H19ClN2S/c1-21(2)12-11-14(13-20)17-5-3-4-6-18(17)22-16-9-7-15(19)8-10-16/h3-10,14H,11-12H2,1-2H3/p+1/t14-/m1/s1