(2R)-2-(4-methylphenyl)-2-piperazin-4-ium-1-yl-ethanenitrile

Systemtic Name: (2R)-2-(4-methylphenyl)-2-piperazin-4-ium-1-yl-ethanenitrile Openeye Name: (2R)-2-piperazin-4-ium-1-yl-2-(p-tolyl)acetonitrile CAS Name: (2R)-2-(4-methylphenyl)-2-(1-piperazin-4-iumyl)acetonitrile IUPAC Name: (2R)-2-(4-methylphenyl)-2-piperazin-4-ium-1-ylacetonitrile Traditional Name: (2R)-2-piperazin-4-ium-1-yl-2-(p-tolyl)acetonitrile Formula: C13H18N3+ MolecularWeight: 216.30212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C#N)N2CC[NH2+]CC2

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C#N)N2CC[NH2+]CC2

InChI

InChI=1S/C13H17N3/c1-11-2-4-12(5-3-11)13(10-14)16-8-6-15-7-9-16/h2-5,13,15H,6-9H2,1H3/p+1/t13-/m0/s1