N-(5-methyl-2-phenyl-pyrazol-3-yl)-3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-amine

Systemtic Name: N-(5-methyl-2-phenyl-pyrazol-3-yl)-3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-amine Openeye Name: N-(5-methyl-2-phenyl-pyrazol-3-yl)-3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-amine CAS Name: N-(5-methyl-2-phenyl-3-pyrazolyl)-3-(4-methyl-1-piperazin-4-iumyl)-2-quinoxalinamine IUPAC Name: N-(5-methyl-2-phenylpyrazol-3-yl)-3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-amine Traditional Name: (5-methyl-2-phenyl-pyrazol-3-yl)-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]amine Formula: C23H26N7+ MolecularWeight: 400.49944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC2=NC3=CC=CC=C3N=C2N4CC[NH+](CC4)C)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=C1)NC2=NC3=CC=CC=C3N=C2N4CC[NH+](CC4)C)C5=CC=CC=C5

InChI

InChI=1S/C23H25N7/c1-17-16-21(30(27-17)18-8-4-3-5-9-18)26-22-23(29-14-12-28(2)13-15-29)25-20-11-7-6-10-19(20)24-22/h3-11,16H,12-15H2,1-2H3,(H,24,26)/p+1