4-[(1S)-1-cyano-1-piperazin-4-ium-1-yl-ethyl]benzenecarbonitrile

Systemtic Name: 4-[(1S)-1-cyano-1-piperazin-4-ium-1-yl-ethyl]benzenecarbonitrile Openeye Name: 4-[(1S)-1-cyano-1-piperazin-4-ium-1-yl-ethyl]benzonitrile CAS Name: 4-[(1S)-1-cyano-1-(1-piperazin-4-iumyl)ethyl]benzonitrile IUPAC Name: 4-[(1S)-1-cyano-1-piperazin-4-ium-1-ylethyl]benzonitrile Traditional Name: 4-[(1S)-1-cyano-1-piperazin-4-ium-1-yl-ethyl]benzonitrile Formula: C14H17N4+ MolecularWeight: 241.31158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N4/c1-14(11-16,18-8-6-17-7-9-18)13-4-2-12(10-15)3-5-13/h2-5,17H,6-9H2,1H3/p+1/t14-/m1/s1