2-[4-[3-[(5-methyl-2-phenyl-1H-pyrazol-2-ium-3-yl)amino]quinoxalin-2-yl]piperazin-1-yl]-N-prop-2-enyl-ethanamide

Systemtic Name: 2-[4-[3-[(5-methyl-2-phenyl-1H-pyrazol-2-ium-3-yl)amino]quinoxalin-2-yl]piperazin-1-yl]-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-[4-[3-[(5-methyl-2-phenyl-1H-pyrazol-2-ium-3-yl)amino]quinoxalin-2-yl]piperazin-1-yl]acetamide CAS Name: 2-[4-[3-[(5-methyl-2-phenyl-1H-pyrazol-2-ium-3-yl)amino]-2-quinoxalinyl]-1-piperazinyl]-N-prop-2-enylacetamide IUPAC Name: 2-[4-[3-[(5-methyl-2-phenyl-1H-pyrazol-2-ium-3-yl)amino]quinoxalin-2-yl]piperazin-1-yl]-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[4-[3-[(5-methyl-2-phenyl-1H-pyrazol-2-ium-3-yl)amino]quinoxalin-2-yl]piperazino]acetamide Formula: C27H31N8O+ MolecularWeight: 483.58804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](N1)C2=CC=CC=C2)NC3=NC4=CC=CC=C4N=C3N5CCN(CC5)CC(=O)NCC=C

Isomeric SMILES

CC1=CC(=[N+](N1)C2=CC=CC=C2)NC3=NC4=CC=CC=C4N=C3N5CCN(CC5)CC(=O)NCC=C

InChI

InChI=1S/C27H30N8O/c1-3-13-28-25(36)19-33-14-16-34(17-15-33)27-26(29-22-11-7-8-12-23(22)30-27)31-24-18-20(2)32-35(24)21-9-5-4-6-10-21/h3-12,18H,1,13-17,19H2,2H3,(H2,28,29,31,32,36)/p+1