4,6-dimethyl-2-[[(2S)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methylsulfanyl]pyridine-3-carboxamide

Systemtic Name: 4,6-dimethyl-2-[[(2S)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methylsulfanyl]pyridine-3-carboxamide Openeye Name: 2-[[(2S)-4-isobutylmorpholin-4-ium-2-yl]methylsulfanyl]-4,6-dimethyl-pyridine-3-carboxamide CAS Name: 4,6-dimethyl-2-[[(2S)-4-(2-methylpropyl)-2-morpholin-4-iumyl]methylthio]-3-pyridinecarboxamide IUPAC Name: 4,6-dimethyl-2-[[(2S)-4-(2-methylpropyl)morpholin-4-ium-2-yl]methylsulfanyl]pyridine-3-carboxamide Traditional Name: 2-[[(2S)-4-isobutylmorpholin-4-ium-2-yl]methylthio]-4,6-dimethyl-nicotinamide Formula: C17H28N3O2S+ MolecularWeight: 338.48812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C(=O)N)SCC2C[NH+](CCO2)CC(C)C)C

Isomeric SMILES

CC1=CC(=NC(=C1C(=O)N)SC[C@@H]2C[NH+](CCO2)CC(C)C)C

InChI

InChI=1S/C17H27N3O2S/c1-11(2)8-20-5-6-22-14(9-20)10-23-17-15(16(18)21)12(3)7-13(4)19-17/h7,11,14H,5-6,8-10H2,1-4H3,(H2,18,21)/p+1/t14-/m0/s1