(2R)-2-(3-chlorophenyl)-2-piperazin-4-ium-1-yl-ethanenitrile

Systemtic Name: (2R)-2-(3-chlorophenyl)-2-piperazin-4-ium-1-yl-ethanenitrile Openeye Name: (2R)-2-(3-chlorophenyl)-2-piperazin-4-ium-1-yl-acetonitrile CAS Name: (2R)-2-(3-chlorophenyl)-2-(1-piperazin-4-iumyl)acetonitrile IUPAC Name: (2R)-2-(3-chlorophenyl)-2-piperazin-4-ium-1-ylacetonitrile Traditional Name: (2R)-2-(3-chlorophenyl)-2-piperazin-4-ium-1-yl-acetonitrile Formula: C12H15ClN3+ MolecularWeight: 236.7206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14ClN3/c13-11-3-1-2-10(8-11)12(9-14)16-6-4-15-5-7-16/h1-3,8,12,15H,4-7H2/p+1/t12-/m0/s1