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

Systemtic Name: (2R)-2-(4-ethylphenyl)-2-piperazin-4-ium-1-yl-ethanenitrile Openeye Name: (2R)-2-(4-ethylphenyl)-2-piperazin-4-ium-1-yl-acetonitrile CAS Name: (2R)-2-(4-ethylphenyl)-2-(1-piperazin-4-iumyl)acetonitrile IUPAC Name: (2R)-2-(4-ethylphenyl)-2-piperazin-4-ium-1-ylacetonitrile Traditional Name: (2R)-2-(4-ethylphenyl)-2-piperazin-4-ium-1-yl-acetonitrile Formula: C14H20N3+ MolecularWeight: 230.3287

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C#N)N2CC[NH2+]CC2

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](C#N)N2CC[NH2+]CC2

InChI

InChI=1S/C14H19N3/c1-2-12-3-5-13(6-4-12)14(11-15)17-9-7-16-8-10-17/h3-6,14,16H,2,7-10H2,1H3/p+1/t14-/m0/s1