2-(2,4-dimethylphenyl)sulfanyl-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)pyridine-3-carboxamide

Systemtic Name: 2-(2,4-dimethylphenyl)sulfanyl-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)pyridine-3-carboxamide Openeye Name: 2-(2,4-dimethylphenyl)sulfanyl-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)pyridine-3-carboxamide CAS Name: 2-[(2,4-dimethylphenyl)thio]-N-[2-methyl-2-(4-morpholin-4-iumyl)propyl]-3-pyridinecarboxamide IUPAC Name: 2-(2,4-dimethylphenyl)sulfanyl-N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)pyridine-3-carboxamide Traditional Name: 2-[(2,4-dimethylphenyl)thio]-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)nicotinamide Formula: C22H30N3O2S+ MolecularWeight: 400.5575

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SC2=C(C=CC=N2)C(=O)NCC(C)(C)[NH+]3CCOCC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)SC2=C(C=CC=N2)C(=O)NCC(C)(C)[NH+]3CCOCC3)C

InChI

InChI=1S/C22H29N3O2S/c1-16-7-8-19(17(2)14-16)28-21-18(6-5-9-23-21)20(26)24-15-22(3,4)25-10-12-27-13-11-25/h5-9,14H,10-13,15H2,1-4H3,(H,24,26)/p+1