(4-chlorophenyl)methyl-(1-methylpiperidin-1-ium-1-yl)carbamothioic S-acid

Systemtic Name: (4-chlorophenyl)methyl-(1-methylpiperidin-1-ium-1-yl)carbamothioic S-acid Openeye Name: (4-chlorophenyl)methyl-(1-methylpiperidin-1-ium-1-yl)carbamothioic S-acid CAS Name: (4-chlorophenyl)methyl-(1-methyl-1-piperidin-1-iumyl)carbamothioic S-acid IUPAC Name: (4-chlorophenyl)methyl-(1-methylpiperidin-1-ium-1-yl)carbamothioic S-acid Traditional Name: (4-chlorobenzyl)-(1-methylpiperidin-1-ium-1-yl)thiocarbamic S-acid Formula: C14H20ClN2OS+ MolecularWeight: 299.8394

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)N(CC2=CC=C(C=C2)Cl)C(=O)S

Isomeric SMILES

C[N+]1(CCCCC1)N(CC2=CC=C(C=C2)Cl)C(=O)S

InChI

InChI=1S/C14H19ClN2OS/c1-17(9-3-2-4-10-17)16(14(18)19)11-12-5-7-13(15)8-6-12/h5-8H,2-4,9-11H2,1H3/p+1