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

Systemtic Name: (2S)-3-phenyl-2-piperazin-4-ium-1-yl-propanenitrile Openeye Name: (2S)-3-phenyl-2-piperazin-4-ium-1-yl-propanenitrile CAS Name: (2S)-3-phenyl-2-(1-piperazin-4-iumyl)propanenitrile IUPAC Name: (2S)-3-phenyl-2-piperazin-4-ium-1-ylpropanenitrile Traditional Name: (2S)-3-phenyl-2-piperazin-4-ium-1-yl-propionitrile Formula: C13H18N3+ MolecularWeight: 216.30212

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(CC2=CC=CC=C2)C#N

Isomeric SMILES

C1CN(CC[NH2+]1)[C@@H](CC2=CC=CC=C2)C#N

InChI

InChI=1S/C13H17N3/c14-11-13(16-8-6-15-7-9-16)10-12-4-2-1-3-5-12/h1-5,13,15H,6-10H2/p+1/t13-/m0/s1