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

Systemtic Name: (2R)-2-[4-(2-chloranylethanoyl)piperazin-1-ium-1-yl]-2-(1-phenylpyrazol-4-yl)ethanenitrile Openeye Name: (2R)-2-[4-(2-chloroacetyl)piperazin-1-ium-1-yl]-2-(1-phenylpyrazol-4-yl)acetonitrile CAS Name: (2R)-2-[4-(2-chloro-1-oxoethyl)-1-piperazin-1-iumyl]-2-(1-phenyl-4-pyrazolyl)acetonitrile IUPAC Name: (2R)-2-[4-(2-chloroacetyl)piperazin-1-ium-1-yl]-2-(1-phenylpyrazol-4-yl)acetonitrile Traditional Name: (2R)-2-[4-(2-chloroacetyl)piperazin-1-ium-1-yl]-2-(1-phenylpyrazol-4-yl)acetonitrile Formula: C17H19ClN5O+ MolecularWeight: 344.81866

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C#N)C2=CN(N=C2)C3=CC=CC=C3)C(=O)CCl

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN5O/c18-10-17(24)22-8-6-21(7-9-22)16(11-19)14-12-20-23(13-14)15-4-2-1-3-5-15/h1-5,12-13,16H,6-10H2/p+1/t16-/m0/s1