5-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]pyrazine-2-carboxamide

Systemtic Name: 5-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-morpholin-4-ylsulfonyl-phenyl]pyrazine-2-carboxamide Openeye Name: 5-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-morpholinosulfonyl-phenyl]pyrazine-2-carboxamide CAS Name: 5-methyl-N-[2-(4-methyl-1-piperazin-4-iumyl)-5-(4-morpholinylsulfonyl)phenyl]-2-pyrazinecarboxamide IUPAC Name: 5-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-morpholin-4-ylsulfonylphenyl]pyrazine-2-carboxamide Traditional Name: 5-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-morpholinosulfonyl-phenyl]pyrazinamide Formula: C21H29N6O4S+ MolecularWeight: 461.55776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N=C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=NC=C(N=C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CC[NH+](CC4)C

InChI

InChI=1S/C21H28N6O4S/c1-16-14-23-19(15-22-16)21(28)24-18-13-17(32(29,30)27-9-11-31-12-10-27)3-4-20(18)26-7-5-25(2)6-8-26/h3-4,13-15H,5-12H2,1-2H3,(H,24,28)/p+1