4-[[4-[1-(phenylmethyl)pyrazol-4-yl]carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[1-(phenylmethyl)pyrazol-4-yl]carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(1-benzylpyrazole-4-carbonyl)piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[oxo-[1-(phenylmethyl)-4-pyrazolyl]methyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-(1-benzylpyrazole-4-carbonyl)piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(1-benzylpyrazole-4-carbonyl)piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C23H24N5O+ MolecularWeight: 386.46956

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)C3=CN(N=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)C3=CN(N=C3)CC4=CC=CC=C4

InChI

InChI=1S/C23H23N5O/c24-14-19-6-8-21(9-7-19)16-26-10-12-27(13-11-26)23(29)22-15-25-28(18-22)17-20-4-2-1-3-5-20/h1-9,15,18H,10-13,16-17H2/p+1