3-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]propanenitrile

Systemtic Name: 3-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]propanenitrile Openeye Name: 3-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]propanenitrile CAS Name: 3-[(2S)-4-methyl-2-phenyl-1-piperazin-4-iumyl]propanenitrile IUPAC Name: 3-[(2S)-4-methyl-2-phenylpiperazin-4-ium-1-yl]propanenitrile Traditional Name: 3-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]propionitrile Formula: C14H20N3+ MolecularWeight: 230.3287

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(C(C1)C2=CC=CC=C2)CCC#N

Isomeric SMILES

C[NH+]1CCN([C@H](C1)C2=CC=CC=C2)CCC#N

InChI

InChI=1S/C14H19N3/c1-16-10-11-17(9-5-8-15)14(12-16)13-6-3-2-4-7-13/h2-4,6-7,14H,5,9-12H2,1H3/p+1/t14-/m1/s1