4-[[4-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl]piperazine-1,4-diium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl]piperazine-1,4-diium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl]piperazine-1,4-diium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl]-1-piperazine-1,4-diiumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]piperazine-1,4-diium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl]piperazine-1,4-diium-1-yl]methyl]benzonitrile Formula: C23H26ClN5+2 MolecularWeight: 407.93904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)C#N)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C[NH+]2CC[NH+](CC2)CC3=CC=C(C=C3)C#N)Cl)C4=CC=CC=C4

InChI

InChI=1S/C23H24ClN5/c1-18-22(23(24)29(26-18)21-5-3-2-4-6-21)17-28-13-11-27(12-14-28)16-20-9-7-19(15-25)8-10-20/h2-10H,11-14,16-17H2,1H3/p+2