N-(4-methylsulfanylphenyl)piperidin-1-ium-4-carboxamide

Systemtic Name: N-(4-methylsulfanylphenyl)piperidin-1-ium-4-carboxamide Openeye Name: N-(4-methylsulfanylphenyl)piperidin-1-ium-4-carboxamide CAS Name: N-[4-(methylthio)phenyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(4-methylsulfanylphenyl)piperidin-1-ium-4-carboxamide Traditional Name: N-[4-(methylthio)phenyl]piperidin-1-ium-4-carboxamide Formula: C13H19N2OS+ MolecularWeight: 251.36776

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=O)C2CC[NH2+]CC2

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=O)C2CC[NH2+]CC2

InChI

InChI=1S/C13H18N2OS/c1-17-12-4-2-11(3-5-12)15-13(16)10-6-8-14-9-7-10/h2-5,10,14H,6-9H2,1H3,(H,15,16)/p+1