N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-2-methylsulfanyl-N-phenethyl-pyridine-3-carboxamide

Systemtic Name: N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-2-methylsulfanyl-N-phenethyl-pyridine-3-carboxamide Openeye Name: N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-2-methylsulfanyl-N-phenethyl-pyridine-3-carboxamide CAS Name: N-[[(3R)-1-methyl-3-piperidin-1-iumyl]methyl]-2-(methylthio)-N-phenethyl-3-pyridinecarboxamide IUPAC Name: N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-2-methylsulfanyl-N-phenethylpyridine-3-carboxamide Traditional Name: N-[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl]-2-(methylthio)-N-phenethyl-nicotinamide Formula: C22H30N3OS+ MolecularWeight: 384.5581

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC(C1)CN(CCC2=CC=CC=C2)C(=O)C3=C(N=CC=C3)SC

Isomeric SMILES

C[NH+]1CCC[C@@H](C1)CN(CCC2=CC=CC=C2)C(=O)C3=C(N=CC=C3)SC

InChI

InChI=1S/C22H29N3OS/c1-24-14-7-10-19(16-24)17-25(15-12-18-8-4-3-5-9-18)22(26)20-11-6-13-23-21(20)27-2/h3-6,8-9,11,13,19H,7,10,12,14-17H2,1-2H3/p+1/t19-/m0/s1