3H-1,3-benzothiazole-2-thione; 2-pyridin-1-ium-1-ylethanol

Systemtic Name: 3H-1,3-benzothiazole-2-thione; 2-pyridin-1-ium-1-ylethanol Openeye Name: 3H-1,3-benzothiazole-2-thione; 2-pyridin-1-ium-1-ylethanol CAS Name: 3H-1,3-benzothiazole-2-thione; 2-(1-pyridin-1-iumyl)ethanol IUPAC Name: 3H-1,3-benzothiazole-2-thione; 2-pyridin-1-ium-1-ylethanol Traditional Name: 3H-1,3-benzothiazole-2-thione; 2-pyridin-1-ium-1-ylethanol Formula: C14H15N2OS2+ MolecularWeight: 291.4117

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H10NO.C7H5NS2/c9-7-6-8-4-2-1-3-5-8;9-7-8-5-3-1-2-4-6(5)10-7/h1-5,9H,6-7H2;1-4H,(H,8,9)/q+1;