5-chloranyl-3H-1,3-benzothiazole-2-thione; trimethyl-(phenylmethyl)azanium

Systemtic Name: 5-chloranyl-3H-1,3-benzothiazole-2-thione; trimethyl-(phenylmethyl)azanium Openeye Name: benzyl(trimethyl)ammonium; 5-chloro-3H-1,3-benzothiazole-2-thione CAS Name: 5-chloro-3H-1,3-benzothiazole-2-thione; trimethyl-(phenylmethyl)ammonium IUPAC Name: benzyl(trimethyl)azanium; 5-chloro-3H-1,3-benzothiazole-2-thione Traditional Name: benzyl(trimethyl)ammonium; 5-chloro-3H-1,3-benzothiazole-2-thione Formula: C17H20ClN2S2+ MolecularWeight: 351.9371

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC1=CC=CC=C1.C1=CC2=C(C=C1Cl)NC(=S)S2

Isomeric SMILES

C[N+](C)(C)CC1=CC=CC=C1.C1=CC2=C(C=C1Cl)NC(=S)S2

InChI

InChI=1S/C10H16N.C7H4ClNS2/c1-11(2,3)9-10-7-5-4-6-8-10;8-4-1-2-6-5(3-4)9-7(10)11-6/h4-8H,9H2,1-3H3;1-3H,(H,9,10)/q+1;