(1-methylpiperidin-1-ium-1-yl)-(1-phenylethyl)carbamothioic S-acid

Systemtic Name: (1-methylpiperidin-1-ium-1-yl)-(1-phenylethyl)carbamothioic S-acid Openeye Name: (1-methylpiperidin-1-ium-1-yl)-(1-phenylethyl)carbamothioic S-acid CAS Name: (1-methyl-1-piperidin-1-iumyl)-(1-phenylethyl)carbamothioic S-acid IUPAC Name: (1-methylpiperidin-1-ium-1-yl)-(1-phenylethyl)carbamothioic S-acid Traditional Name: (1-methylpiperidin-1-ium-1-yl)-(1-phenylethyl)thiocarbamic S-acid Formula: C15H23N2OS+ MolecularWeight: 279.42092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C1=CC=CC=C1)N(C(=O)S)[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/p+1