2-[3-[(E)-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)methyl]pyridin-1-ium-1-yl]ethanol

Systemtic Name: 2-[3-[(E)-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)methyl]pyridin-1-ium-1-yl]ethanol Openeye Name: 2-[3-[(E)-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)methyl]pyridin-1-ium-1-yl]ethanol CAS Name: 2-[3-[(E)-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)methyl]-1-pyridin-1-iumyl]ethanol IUPAC Name: 2-[3-[(E)-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)methyl]pyridin-1-ium-1-yl]ethanol Traditional Name: 2-[3-[(E)-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)methyl]pyridin-1-ium-1-yl]ethanol Formula: C17H19N2OS+ MolecularWeight: 299.41056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=CC3=C[N+](=CC=C3)CCO)S2)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(/C(=C\C3=C[N+](=CC=C3)CCO)/S2)C

InChI

InChI=1S/C17H19N2OS/c1-13-5-6-15-16(10-13)21-17(18(15)2)11-14-4-3-7-19(12-14)8-9-20/h3-7,10-12,20H,8-9H2,1-2H3/q+1/b17-11+