O-phenethyl 1-methylpiperidin-1-ium-1-carbothioate

Systemtic Name: O-phenethyl 1-methylpiperidin-1-ium-1-carbothioate Openeye Name: O-phenethyl 1-methylpiperidin-1-ium-1-carbothioate CAS Name: 1-methyl-1-piperidin-1-iumcarbothioic acid O-phenethyl ester IUPAC Name: O-phenethyl 1-methylpiperidin-1-ium-1-carbothioate Traditional Name: 1-methylpiperidin-1-ium-1-carbothioic acid O-phenethyl ester Formula: C15H22NOS+ MolecularWeight: 264.40628

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)C(=S)OCCC2=CC=CC=C2

Isomeric SMILES

C[N+]1(CCCCC1)C(=S)OCCC2=CC=CC=C2

InChI

InChI=1S/C15H22NOS/c1-16(11-6-3-7-12-16)15(18)17-13-10-14-8-4-2-5-9-14/h2,4-5,8-9H,3,6-7,10-13H2,1H3/q+1