N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-2-phenylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-2-phenylsulfanyl-pyridine-3-carboxamide Openeye Name: N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-2-phenylsulfanyl-pyridine-3-carboxamide CAS Name: N-[2-methyl-2-(4-morpholin-4-iumyl)propyl]-2-(phenylthio)-3-pyridinecarboxamide IUPAC Name: N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)-2-phenylsulfanylpyridine-3-carboxamide Traditional Name: N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-2-(phenylthio)nicotinamide Formula: C20H26N3O2S+ MolecularWeight: 372.50434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C1=C(N=CC=C1)SC2=CC=CC=C2)[NH+]3CCOCC3

Isomeric SMILES

CC(C)(CNC(=O)C1=C(N=CC=C1)SC2=CC=CC=C2)[NH+]3CCOCC3

InChI

InChI=1S/C20H25N3O2S/c1-20(2,23-11-13-25-14-12-23)15-22-18(24)17-9-6-10-21-19(17)26-16-7-4-3-5-8-16/h3-10H,11-15H2,1-2H3,(H,22,24)/p+1