3H-1,3-benzothiazole-2-thione; dodecyl-dimethyl-(phenylmethyl)azanium

Systemtic Name: 3H-1,3-benzothiazole-2-thione; dodecyl-dimethyl-(phenylmethyl)azanium Openeye Name: 3H-1,3-benzothiazole-2-thione; benzyl-dodecyl-dimethyl-ammonium CAS Name: 3H-1,3-benzothiazole-2-thione; dodecyl-dimethyl-(phenylmethyl)ammonium IUPAC Name: 3H-1,3-benzothiazole-2-thione; benzyl-dodecyl-dimethylazanium Traditional Name: 3H-1,3-benzothiazole-2-thione; benzyl-lauryl-dimethyl-ammonium Formula: C28H43N2S2+ MolecularWeight: 471.78442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.C1=CC=C2C(=C1)NC(=S)S2

Isomeric SMILES

CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.C1=CC=C2C(=C1)NC(=S)S2

InChI

InChI=1S/C21H38N.C7H5NS2/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;9-7-8-5-3-1-2-4-6(5)10-7/h13-15,17-18H,4-12,16,19-20H2,1-3H3;1-4H,(H,8,9)/q+1;