N-[2,4,6-trimethyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]pyridine-3-carboxamide

Systemtic Name: N-[2,4,6-trimethyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]pyridine-3-carboxamide Openeye Name: N-[2,4,6-trimethyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]pyridine-3-carboxamide CAS Name: N-[2,4,6-trimethyl-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-3-pyridinecarboxamide IUPAC Name: N-[2,4,6-trimethyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]pyridine-3-carboxamide Traditional Name: N-[2,4,6-trimethyl-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]nicotinamide Formula: C20H27N4O3S+ MolecularWeight: 403.51838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1NC(=O)C2=CN=CC=C2)C)S(=O)(=O)N3CC[NH+](CC3)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1NC(=O)C2=CN=CC=C2)C)S(=O)(=O)N3CC[NH+](CC3)C)C

InChI

InChI=1S/C20H26N4O3S/c1-14-12-15(2)19(28(26,27)24-10-8-23(4)9-11-24)16(3)18(14)22-20(25)17-6-5-7-21-13-17/h5-7,12-13H,8-11H2,1-4H3,(H,22,25)/p+1