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

Systemtic Name: (2R)-2-(1-phenylpyrazol-4-yl)-2-piperazin-4-ium-1-yl-ethanenitrile Openeye Name: (2R)-2-(1-phenylpyrazol-4-yl)-2-piperazin-4-ium-1-yl-acetonitrile CAS Name: (2R)-2-(1-phenyl-4-pyrazolyl)-2-(1-piperazin-4-iumyl)acetonitrile IUPAC Name: (2R)-2-(1-phenylpyrazol-4-yl)-2-piperazin-4-ium-1-ylacetonitrile Traditional Name: (2R)-2-(1-phenylpyrazol-4-yl)-2-piperazin-4-ium-1-yl-acetonitrile Formula: C15H18N5+ MolecularWeight: 268.33692

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(C#N)C2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH2+]1)[C@@H](C#N)C2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C15H17N5/c16-10-15(19-8-6-17-7-9-19)13-11-18-20(12-13)14-4-2-1-3-5-14/h1-5,11-12,15,17H,6-9H2/p+1/t15-/m0/s1