(2S)-2-piperazin-4-ium-1-yl-2-[3-(1,2,3,4-tetrazol-1-yl)phenyl]propanenitrile

Systemtic Name: (2S)-2-piperazin-4-ium-1-yl-2-[3-(1,2,3,4-tetrazol-1-yl)phenyl]propanenitrile Openeye Name: (2S)-2-piperazin-4-ium-1-yl-2-[3-(tetrazol-1-yl)phenyl]propanenitrile CAS Name: (2S)-2-(1-piperazin-4-iumyl)-2-[3-(1-tetrazolyl)phenyl]propanenitrile IUPAC Name: (2S)-2-piperazin-4-ium-1-yl-2-[3-(tetrazol-1-yl)phenyl]propanenitrile Traditional Name: (2S)-2-piperazin-4-ium-1-yl-2-[3-(tetrazol-1-yl)phenyl]propionitrile Formula: C14H18N7+ MolecularWeight: 284.33962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1=CC(=CC=C1)N2C=NN=N2)N3CC[NH2+]CC3

Isomeric SMILES

C[C@@](C#N)(C1=CC(=CC=C1)N2C=NN=N2)N3CC[NH2+]CC3

InChI

InChI=1S/C14H17N7/c1-14(10-15,20-7-5-16-6-8-20)12-3-2-4-13(9-12)21-11-17-18-19-21/h2-4,9,11,16H,5-8H2,1H3/p+1/t14-/m1/s1