1-(3-methyl-1,3-benzothiazol-3-ium-2-yl)cyclododecan-1-ol

Systemtic Name: 1-(3-methyl-1,3-benzothiazol-3-ium-2-yl)cyclododecan-1-ol Openeye Name: 1-(3-methyl-1,3-benzothiazol-3-ium-2-yl)cyclododecanol CAS Name: 1-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-1-cyclododecanol IUPAC Name: 1-(3-methyl-1,3-benzothiazol-3-ium-2-yl)cyclododecan-1-ol Traditional Name: 1-(3-methyl-1,3-benzothiazol-3-ium-2-yl)cyclododecanol Formula: C20H30NOS+ MolecularWeight: 332.5233

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC2=CC=CC=C21)C3(CCCCCCCCCCC3)O

Isomeric SMILES

C[N+]1=C(SC2=CC=CC=C21)C3(CCCCCCCCCCC3)O

InChI

InChI=1S/C20H30NOS/c1-21-17-13-9-10-14-18(17)23-19(21)20(22)15-11-7-5-3-2-4-6-8-12-16-20/h9-10,13-14,22H,2-8,11-12,15-16H2,1H3/q+1