1-(3-methylsulfanylpropyl)-N-(4-pyridin-3-yloxyphenyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-(3-methylsulfanylpropyl)-N-(4-pyridin-3-yloxyphenyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-(3-methylsulfanylpropyl)-N-[4-(3-pyridyloxy)phenyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[3-(methylthio)propyl]-N-[4-(3-pyridinyloxy)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-(3-methylsulfanylpropyl)-N-(4-pyridin-3-yloxyphenyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-[3-(methylthio)propyl]-N-[4-(3-pyridyloxy)phenyl]piperidin-1-ium-4-carboxamide Formula: C21H28N3O2S+ MolecularWeight: 386.53092

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC[NH+]1CCC(CC1)C(=O)NC2=CC=C(C=C2)OC3=CN=CC=C3

Isomeric SMILES

CSCCC[NH+]1CCC(CC1)C(=O)NC2=CC=C(C=C2)OC3=CN=CC=C3

InChI

InChI=1S/C21H27N3O2S/c1-27-15-3-12-24-13-9-17(10-14-24)21(25)23-18-5-7-19(8-6-18)26-20-4-2-11-22-16-20/h2,4-8,11,16-17H,3,9-10,12-15H2,1H3,(H,23,25)/p+1