methyl-(phenylmethyl)-[(3S)-1-(2-pyridin-2-ylsulfanylethanoyl)piperidin-3-yl]azanium

Systemtic Name: methyl-(phenylmethyl)-[(3S)-1-(2-pyridin-2-ylsulfanylethanoyl)piperidin-3-yl]azanium Openeye Name: benzyl-methyl-[(3S)-1-[2-(2-pyridylsulfanyl)acetyl]-3-piperidyl]ammonium CAS Name: methyl-[(3S)-1-[1-oxo-2-(2-pyridinylthio)ethyl]-3-piperidinyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[(3S)-1-(2-pyridin-2-ylsulfanylacetyl)piperidin-3-yl]azanium Traditional Name: benzyl-methyl-[(3S)-1-[2-(2-pyridylthio)acetyl]-3-piperidyl]ammonium Formula: C20H26N3OS+ MolecularWeight: 356.50494

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)C2CCCN(C2)C(=O)CSC3=CC=CC=N3

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)[C@H]2CCCN(C2)C(=O)CSC3=CC=CC=N3

InChI

InChI=1S/C20H25N3OS/c1-22(14-17-8-3-2-4-9-17)18-10-7-13-23(15-18)20(24)16-25-19-11-5-6-12-21-19/h2-6,8-9,11-12,18H,7,10,13-16H2,1H3/p+1/t18-/m0/s1