N-(1-methylpiperidin-1-ium-1-yl)-N-(1-phenylethyl)carbamothioate

Systemtic Name: N-(1-methylpiperidin-1-ium-1-yl)-N-(1-phenylethyl)carbamothioate Openeye Name: N-(1-methylpiperidin-1-ium-1-yl)-N-(1-phenylethyl)carbamothioate CAS Name: N-(1-methyl-1-piperidin-1-iumyl)-N-(1-phenylethyl)carbamothioate IUPAC Name: N-(1-methylpiperidin-1-ium-1-yl)-N-(1-phenylethyl)carbamothioate Traditional Name: N-(1-methylpiperidin-1-ium-1-yl)-N-(1-phenylethyl)thiocarbamate Formula: C15H22N2OS MolecularWeight: 278.41298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N(C(=S)[O-])[N+]2(CCCCC2)C

Isomeric SMILES

CC(C1=CC=CC=C1)N(C(=S)[O-])[N+]2(CCCCC2)C

InChI

InChI=1S/C15H22N2OS/c1-13(14-9-5-3-6-10-14)16(15(18)19)17(2)11-7-4-8-12-17/h3,5-6,9-10,13H,4,7-8,11-12H2,1-2H3