O-phenyl 1-methylpiperidin-1-ium-1-carbothioate

Systemtic Name: O-phenyl 1-methylpiperidin-1-ium-1-carbothioate Openeye Name: O-phenyl 1-methylpiperidin-1-ium-1-carbothioate CAS Name: 1-methyl-1-piperidin-1-iumcarbothioic acid O-phenyl ester IUPAC Name: O-phenyl 1-methylpiperidin-1-ium-1-carbothioate Traditional Name: 1-methylpiperidin-1-ium-1-carbothioic acid O-phenyl ester Formula: C13H18NOS+ MolecularWeight: 236.35312

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)C(=S)OC2=CC=CC=C2

Isomeric SMILES

C[N+]1(CCCCC1)C(=S)OC2=CC=CC=C2

InChI

InChI=1S/C13H18NOS/c1-14(10-6-3-7-11-14)13(16)15-12-8-4-2-5-9-12/h2,4-5,8-9H,3,6-7,10-11H2,1H3/q+1