S-methyl 5-pyridin-1-ium-1-ylpentanethioate

Systemtic Name: S-methyl 5-pyridin-1-ium-1-ylpentanethioate Openeye Name: S-methyl 5-pyridin-1-ium-1-ylpentanethioate CAS Name: 5-(1-pyridin-1-iumyl)pentanethioic acid S-methyl ester IUPAC Name: S-methyl 5-pyridin-1-ium-1-ylpentanethioate Traditional Name: 5-pyridin-1-ium-1-ylpentanethioic acid S-methyl ester Formula: C11H16NOS+ MolecularWeight: 210.31584

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=O)CCCC[N+]1=CC=CC=C1

Isomeric SMILES

CSC(=O)CCCC[N+]1=CC=CC=C1

InChI

InChI=1S/C11H16NOS/c1-14-11(13)7-3-6-10-12-8-4-2-5-9-12/h2,4-5,8-9H,3,6-7,10H2,1H3/q+1