2-(3-chloranyl-4-methyl-phenyl)-5-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-4-phenyl-pyrazol-3-amine

Systemtic Name: 2-(3-chloranyl-4-methyl-phenyl)-5-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-4-phenyl-pyrazol-3-amine Openeye Name: 2-(3-chloro-4-methyl-phenyl)-5-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-4-phenyl-pyrazol-3-amine CAS Name: 2-(3-chloro-4-methylphenyl)-5-[(4-ethyl-1-piperazine-1,4-diiumyl)methyl]-4-phenyl-3-pyrazolamine IUPAC Name: 2-(3-chloro-4-methylphenyl)-5-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-4-phenylpyrazol-3-amine Traditional Name: [2-(3-chloro-4-methyl-phenyl)-5-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-4-phenyl-pyrazol-3-yl]amine Formula: C23H30ClN5+2 MolecularWeight: 411.9708

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H28ClN5/c1-3-27-11-13-28(14-12-27)16-21-22(18-7-5-4-6-8-18)23(25)29(26-21)19-10-9-17(2)20(24)15-19/h4-10,15H,3,11-14,16,25H2,1-2H3/p+2