N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]quinoxaline-2-carboxamide

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]quinoxaline-2-carboxamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]quinoxaline-2-carboxamide CAS Name: N-[4-(4-ethyl-1-piperazin-4-iumyl)-3-methylphenyl]-2-quinoxalinecarboxamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methylphenyl]quinoxaline-2-carboxamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]quinoxaline-2-carboxamide Formula: C22H26N5O+ MolecularWeight: 376.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=NC4=CC=CC=C4N=C3)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=NC4=CC=CC=C4N=C3)C

InChI

InChI=1S/C22H25N5O/c1-3-26-10-12-27(13-11-26)21-9-8-17(14-16(21)2)24-22(28)20-15-23-18-6-4-5-7-19(18)25-20/h4-9,14-15H,3,10-13H2,1-2H3,(H,24,28)/p+1