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

Systemtic Name: N-cyclopropyl-N-[(1S)-1-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]-2-phenyl-ethyl]pyridine-2-carboxamide Openeye Name: N-cyclopropyl-N-[(1S)-1-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]-2-phenyl-ethyl]pyridine-2-carboxamide CAS Name: N-cyclopropyl-N-[(1S)-1-[1-[[4-(methylthio)phenyl]methyl]-4-piperidin-1-iumyl]-2-phenylethyl]-2-pyridinecarboxamide IUPAC Name: N-cyclopropyl-N-[(1S)-1-[1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-yl]-2-phenylethyl]pyridine-2-carboxamide Traditional Name: N-cyclopropyl-N-[(1S)-1-[1-[4-(methylthio)benzyl]piperidin-1-ium-4-yl]-2-phenyl-ethyl]picolinamide Formula: C30H36N3OS+ MolecularWeight: 486.69134

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C[NH+]2CCC(CC2)C(CC3=CC=CC=C3)N(C4CC4)C(=O)C5=CC=CC=N5

Isomeric SMILES

CSC1=CC=C(C=C1)C[NH+]2CCC(CC2)[C@H](CC3=CC=CC=C3)N(C4CC4)C(=O)C5=CC=CC=N5

InChI

InChI=1S/C30H35N3OS/c1-35-27-14-10-24(11-15-27)22-32-19-16-25(17-20-32)29(21-23-7-3-2-4-8-23)33(26-12-13-26)30(34)28-9-5-6-18-31-28/h2-11,14-15,18,25-26,29H,12-13,16-17,19-22H2,1H3/p+1/t29-/m0/s1