2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-N-(4-piperidin-1-ylphenyl)propanamide

Systemtic Name: 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-N-(4-piperidin-1-ylphenyl)propanamide Openeye Name: 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-[4-(1-piperidyl)phenyl]propanamide CAS Name: 2-[(1-oxido-2-pyridin-1-iumyl)thio]-N-[4-(1-piperidinyl)phenyl]propanamide IUPAC Name: 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(4-piperidin-1-ylphenyl)propanamide Traditional Name: 2-[(1-oxidopyridin-1-ium-2-yl)thio]-N-(4-piperidinophenyl)propionamide Formula: C19H23N3O2S MolecularWeight: 357.46982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N2CCCCC2)SC3=CC=CC=[N+]3[O-]

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)N2CCCCC2)SC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C19H23N3O2S/c1-15(25-18-7-3-6-14-22(18)24)19(23)20-16-8-10-17(11-9-16)21-12-4-2-5-13-21/h3,6-11,14-15H,2,4-5,12-13H2,1H3,(H,20,23)