S-[(1-methylpiperidin-1-ium-1-yl)methyl] benzenecarbothioate

Systemtic Name: S-[(1-methylpiperidin-1-ium-1-yl)methyl] benzenecarbothioate Openeye Name: S-[(1-methylpiperidin-1-ium-1-yl)methyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[(1-methyl-1-piperidin-1-iumyl)methyl] ester IUPAC Name: S-[(1-methylpiperidin-1-ium-1-yl)methyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[(1-methylpiperidin-1-ium-1-yl)methyl] ester Formula: C14H20NOS+ MolecularWeight: 250.3797

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)CSC(=O)C2=CC=CC=C2

Isomeric SMILES

C[N+]1(CCCCC1)CSC(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H20NOS/c1-15(10-6-3-7-11-15)12-17-14(16)13-8-4-2-5-9-13/h2,4-5,8-9H,3,6-7,10-12H2,1H3/q+1