N-[5-methyl-2-(1-methylbenzimidazol-2-yl)-1H-pyrazol-2-ium-3-yl]-3-[4-(phenylmethyl)piperazin-1-yl]quinoxalin-2-amine

Systemtic Name: N-[5-methyl-2-(1-methylbenzimidazol-2-yl)-1H-pyrazol-2-ium-3-yl]-3-[4-(phenylmethyl)piperazin-1-yl]quinoxalin-2-amine Openeye Name: 3-(4-benzylpiperazin-1-yl)-N-[5-methyl-2-(1-methylbenzimidazol-2-yl)-1H-pyrazol-2-ium-3-yl]quinoxalin-2-amine CAS Name: N-[5-methyl-2-(1-methyl-2-benzimidazolyl)-1H-pyrazol-2-ium-3-yl]-3-[4-(phenylmethyl)-1-piperazinyl]-2-quinoxalinamine IUPAC Name: 3-(4-benzylpiperazin-1-yl)-N-[5-methyl-2-(1-methylbenzimidazol-2-yl)-1H-pyrazol-2-ium-3-yl]quinoxalin-2-amine Traditional Name: [3-(4-benzylpiperazino)quinoxalin-2-yl]-[5-methyl-2-(1-methylbenzimidazol-2-yl)-1H-pyrazol-2-ium-3-yl]amine Formula: C31H32N9+ MolecularWeight: 530.64608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](N1)C2=NC3=CC=CC=C3N2C)NC4=NC5=CC=CC=C5N=C4N6CCN(CC6)CC7=CC=CC=C7

Isomeric SMILES

CC1=CC(=[N+](N1)C2=NC3=CC=CC=C3N2C)NC4=NC5=CC=CC=C5N=C4N6CCN(CC6)CC7=CC=CC=C7

InChI

InChI=1S/C31H31N9/c1-22-20-28(40(36-22)31-34-26-14-8-9-15-27(26)37(31)2)35-29-30(33-25-13-7-6-12-24(25)32-29)39-18-16-38(17-19-39)21-23-10-4-3-5-11-23/h3-15,20H,16-19,21H2,1-2H3,(H,32,35,36)/p+1