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

Systemtic Name: methyl-(2-pyridin-2-ylethyl)-[(3S)-1-(2-pyrimidin-2-ylsulfanylethanoyl)piperidin-3-yl]azanium Openeye Name: methyl-[2-(2-pyridyl)ethyl]-[(3S)-1-(2-pyrimidin-2-ylsulfanylacetyl)-3-piperidyl]ammonium CAS Name: methyl-[(3S)-1-[1-oxo-2-(2-pyrimidinylthio)ethyl]-3-piperidinyl]-[2-(2-pyridinyl)ethyl]ammonium IUPAC Name: methyl-(2-pyridin-2-ylethyl)-[(3S)-1-(2-pyrimidin-2-ylsulfanylacetyl)piperidin-3-yl]azanium Traditional Name: methyl-[2-(2-pyridyl)ethyl]-[(3S)-1-[2-(2-pyrimidylthio)acetyl]-3-piperidyl]ammonium Formula: C19H26N5OS+ MolecularWeight: 372.50764

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=N1)C2CCCN(C2)C(=O)CSC3=NC=CC=N3

Isomeric SMILES

C[NH+](CCC1=CC=CC=N1)[C@H]2CCCN(C2)C(=O)CSC3=NC=CC=N3

InChI

InChI=1S/C19H25N5OS/c1-23(13-8-16-6-2-3-9-20-16)17-7-4-12-24(14-17)18(25)15-26-19-21-10-5-11-22-19/h2-3,5-6,9-11,17H,4,7-8,12-15H2,1H3/p+1/t17-/m0/s1