2-[(2-chlorophenyl)methylsulfanyl]-N-(3-morpholin-4-ium-4-ylpropyl)pyridine-3-carboxamide

Systemtic Name: 2-[(2-chlorophenyl)methylsulfanyl]-N-(3-morpholin-4-ium-4-ylpropyl)pyridine-3-carboxamide Openeye Name: 2-[(2-chlorophenyl)methylsulfanyl]-N-(3-morpholin-4-ium-4-ylpropyl)pyridine-3-carboxamide CAS Name: 2-[(2-chlorophenyl)methylthio]-N-[3-(4-morpholin-4-iumyl)propyl]-3-pyridinecarboxamide IUPAC Name: 2-[(2-chlorophenyl)methylsulfanyl]-N-(3-morpholin-4-ium-4-ylpropyl)pyridine-3-carboxamide Traditional Name: 2-[(2-chlorobenzyl)thio]-N-(3-morpholin-4-ium-4-ylpropyl)nicotinamide Formula: C20H25ClN3O2S+ MolecularWeight: 406.9494

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=O)C2=C(N=CC=C2)SCC3=CC=CC=C3Cl

Isomeric SMILES

C1COCC[NH+]1CCCNC(=O)C2=C(N=CC=C2)SCC3=CC=CC=C3Cl

InChI

InChI=1S/C20H24ClN3O2S/c21-18-7-2-1-5-16(18)15-27-20-17(6-3-8-23-20)19(25)22-9-4-10-24-11-13-26-14-12-24/h1-3,5-8H,4,9-15H2,(H,22,25)/p+1