(2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-phenyl-ethanenitrile

Systemtic Name: (2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-phenyl-ethanenitrile Openeye Name: (2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-phenyl-acetonitrile CAS Name: (2S)-2-(4-methyl-1-piperazin-4-iumyl)-2-phenylacetonitrile IUPAC Name: (2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-phenylacetonitrile Traditional Name: (2S)-2-(4-methylpiperazin-4-ium-1-yl)-2-phenyl-acetonitrile Formula: C13H18N3+ MolecularWeight: 216.30212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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