1-(3-methylsulfanylpropyl)-N-[3-(1,3-thiazol-4-yl)phenyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-(3-methylsulfanylpropyl)-N-[3-(1,3-thiazol-4-yl)phenyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-(3-methylsulfanylpropyl)-N-(3-thiazol-4-ylphenyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[3-(methylthio)propyl]-N-[3-(4-thiazolyl)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-(3-methylsulfanylpropyl)-N-[3-(1,3-thiazol-4-yl)phenyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[3-(methylthio)propyl]-N-(3-thiazol-4-ylphenyl)piperidin-1-ium-4-carboxamide Formula: C19H26N3OS2+ MolecularWeight: 376.55924

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC[NH+]1CCC(CC1)C(=O)NC2=CC=CC(=C2)C3=CSC=N3

Isomeric SMILES

CSCCC[NH+]1CCC(CC1)C(=O)NC2=CC=CC(=C2)C3=CSC=N3

InChI

InChI=1S/C19H25N3OS2/c1-24-11-3-8-22-9-6-15(7-10-22)19(23)21-17-5-2-4-16(12-17)18-13-25-14-20-18/h2,4-5,12-15H,3,6-11H2,1H3,(H,21,23)/p+1