methyl-(phenylmethyl)-[(3S)-1-(2-pyridin-4-ylsulfanylethanoyl)piperidin-3-yl]azanium

Systemtic Name: methyl-(phenylmethyl)-[(3S)-1-(2-pyridin-4-ylsulfanylethanoyl)piperidin-3-yl]azanium Openeye Name: benzyl-methyl-[(3S)-1-[2-(4-pyridylsulfanyl)acetyl]-3-piperidyl]ammonium CAS Name: methyl-[(3S)-1-[1-oxo-2-(pyridin-4-ylthio)ethyl]-3-piperidinyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[(3S)-1-(2-pyridin-4-ylsulfanylacetyl)piperidin-3-yl]azanium Traditional Name: benzyl-methyl-[(3S)-1-[2-(4-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=NC=C3

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)[C@H]2CCCN(C2)C(=O)CSC3=CC=NC=C3

InChI

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