(E)-1-(3-methyl-1,3-benzothiazol-3-ium-2-yl)prop-1-en-2-ol

Systemtic Name: (E)-1-(3-methyl-1,3-benzothiazol-3-ium-2-yl)prop-1-en-2-ol Openeye Name: (E)-1-(3-methyl-1,3-benzothiazol-3-ium-2-yl)prop-1-en-2-ol CAS Name: (E)-1-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-1-propen-2-ol IUPAC Name: (E)-1-(3-methyl-1,3-benzothiazol-3-ium-2-yl)prop-1-en-2-ol Traditional Name: (E)-1-(3-methyl-1,3-benzothiazol-3-ium-2-yl)prop-1-en-2-ol Formula: C11H12NOS+ MolecularWeight: 206.28408

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=[N+](C2=CC=CC=C2S1)C)O

Isomeric SMILES

C/C(=C\C1=[N+](C2=CC=CC=C2S1)C)/O

InChI

InChI=1S/C11H11NOS/c1-8(13)7-11-12(2)9-5-3-4-6-10(9)14-11/h3-7H,1-2H3/p+1