N-methyl-N-[(1S)-1-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]-2-phenyl-ethyl]pyridine-2-carboxamide

Systemtic Name: N-methyl-N-[(1S)-1-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]-2-phenyl-ethyl]pyridine-2-carboxamide Openeye Name: N-methyl-N-[(1S)-1-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]-2-phenyl-ethyl]pyridine-2-carboxamide CAS Name: N-methyl-N-[(1S)-1-[1-[[4-(methylthio)phenyl]methyl]-4-piperidin-1-iumyl]-2-phenylethyl]-2-pyridinecarboxamide IUPAC Name: N-methyl-N-[(1S)-1-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]-2-phenylethyl]pyridine-2-carboxamide Traditional Name: N-methyl-N-[(1S)-1-[1-[4-(methylthio)benzyl]piperidin-1-ium-4-yl]-2-phenyl-ethyl]picolinamide Formula: C28H34N3OS+ MolecularWeight: 460.65406

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CC1=CC=CC=C1)C2CC[NH+](CC2)CC3=CC=C(C=C3)SC)C(=O)C4=CC=CC=N4

Isomeric SMILES

CN([C@@H](CC1=CC=CC=C1)C2CC[NH+](CC2)CC3=CC=C(C=C3)SC)C(=O)C4=CC=CC=N4

InChI

InChI=1S/C28H33N3OS/c1-30(28(32)26-10-6-7-17-29-26)27(20-22-8-4-3-5-9-22)24-15-18-31(19-16-24)21-23-11-13-25(33-2)14-12-23/h3-14,17,24,27H,15-16,18-21H2,1-2H3/p+1/t27-/m0/s1