(2R)-2-(4-methylsulfanylphenyl)-2-piperazin-4-ium-1-yl-propanenitrile

Systemtic Name: (2R)-2-(4-methylsulfanylphenyl)-2-piperazin-4-ium-1-yl-propanenitrile Openeye Name: (2R)-2-(4-methylsulfanylphenyl)-2-piperazin-4-ium-1-yl-propanenitrile CAS Name: (2R)-2-[4-(methylthio)phenyl]-2-(1-piperazin-4-iumyl)propanenitrile IUPAC Name: (2R)-2-(4-methylsulfanylphenyl)-2-piperazin-4-ium-1-ylpropanenitrile Traditional Name: (2R)-2-[4-(methylthio)phenyl]-2-piperazin-4-ium-1-yl-propionitrile Formula: C14H20N3S+ MolecularWeight: 262.3937

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1=CC=C(C=C1)SC)N2CC[NH2+]CC2

Isomeric SMILES

C[C@](C#N)(C1=CC=C(C=C1)SC)N2CC[NH2+]CC2

InChI

InChI=1S/C14H19N3S/c1-14(11-15,17-9-7-16-8-10-17)12-3-5-13(18-2)6-4-12/h3-6,16H,7-10H2,1-2H3/p+1/t14-/m0/s1