4-(3-methyl-1,3-benzothiazol-3-ium-2-yl)butan-1-ol

Systemtic Name: 4-(3-methyl-1,3-benzothiazol-3-ium-2-yl)butan-1-ol Openeye Name: 4-(3-methyl-1,3-benzothiazol-3-ium-2-yl)butan-1-ol CAS Name: 4-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-1-butanol IUPAC Name: 4-(3-methyl-1,3-benzothiazol-3-ium-2-yl)butan-1-ol Traditional Name: 4-(3-methyl-1,3-benzothiazol-3-ium-2-yl)butan-1-ol Formula: C12H16NOS+ MolecularWeight: 222.32654

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC2=CC=CC=C21)CCCCO

Isomeric SMILES

C[N+]1=C(SC2=CC=CC=C21)CCCCO

InChI

InChI=1S/C12H16NOS/c1-13-10-6-2-3-7-11(10)15-12(13)8-4-5-9-14/h2-3,6-7,14H,4-5,8-9H2,1H3/q+1