4-[5-azanyl-3-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-4-phenyl-pyrazol-1-yl]benzoate

Systemtic Name: 4-[5-azanyl-3-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-4-phenyl-pyrazol-1-yl]benzoate Openeye Name: 4-[5-amino-3-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-4-phenyl-pyrazol-1-yl]benzoate CAS Name: 4-[5-amino-3-[(4-ethyl-1-piperazine-1,4-diiumyl)methyl]-4-phenyl-1-pyrazolyl]benzoate IUPAC Name: 4-[5-amino-3-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-4-phenylpyrazol-1-yl]benzoate Traditional Name: 4-[5-amino-3-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-4-phenyl-pyrazol-1-yl]benzoate Formula: C23H28N5O2+ MolecularWeight: 406.50072

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)CC2=NN(C(=C2C3=CC=CC=C3)N)C4=CC=C(C=C4)C(=O)[O-]

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)CC2=NN(C(=C2C3=CC=CC=C3)N)C4=CC=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C23H27N5O2/c1-2-26-12-14-27(15-13-26)16-20-21(17-6-4-3-5-7-17)22(24)28(25-20)19-10-8-18(9-11-19)23(29)30/h3-11H,2,12-16,24H2,1H3,(H,29,30)/p+1