2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]pyridine-3-carboxamide

Systemtic Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]pyridine-3-carboxamide Openeye Name: 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]pyridine-3-carboxamide CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-N-[4-(4-ethyl-1-piperazin-4-iumyl)-3-methylphenyl]-3-pyridinecarboxamide IUPAC Name: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methylphenyl]pyridine-3-carboxamide Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methylthio]-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]nicotinamide Formula: C25H32N5O2S+ MolecularWeight: 466.61888

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=C(N=CC=C3)SCC4=C(ON=C4C)C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=C(N=CC=C3)SCC4=C(ON=C4C)C)C

InChI

InChI=1S/C25H31N5O2S/c1-5-29-11-13-30(14-12-29)23-9-8-20(15-17(23)2)27-24(31)21-7-6-10-26-25(21)33-16-22-18(3)28-32-19(22)4/h6-10,15H,5,11-14,16H2,1-4H3,(H,27,31)/p+1