(2S)-2-(4-phenylpiperazin-1-ium-1-yl)propanenitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)[NH+]1CCN(CC1)C2=CC=CC=C2

Isomeric SMILES

C[C@@H](C#N)[NH+]1CCN(CC1)C2=CC=CC=C2

InChI

InChI=1S/C13H17N3/c1-12(11-14)15-7-9-16(10-8-15)13-5-3-2-4-6-13/h2-6,12H,7-10H2,1H3/p+1/t12-/m0/s1