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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3/c1-13(11-14,12-5-3-2-4-6-12)16-9-7-15-8-10-16/h2-6,15H,7-10H2,1H3/p+1/t13-/m1/s1