2-[(2,6-dimethylpyran-4-ylidene)methyl]-3-methyl-1,3-benzothiazol-3-ium perchlorate

Systemtic Name: 2-[(2,6-dimethylpyran-4-ylidene)methyl]-3-methyl-1,3-benzothiazol-3-ium perchlorate Openeye Name: 2-[(2,6-dimethylpyran-4-ylidene)methyl]-3-methyl-1,3-benzothiazol-3-ium perchlorate CAS Name: 2-[(2,6-dimethyl-4-pyranylidene)methyl]-3-methyl-1,3-benzothiazol-3-ium perchlorate IUPAC Name: 2-[(2,6-dimethylpyran-4-ylidene)methyl]-3-methyl-1,3-benzothiazol-3-ium perchlorate Traditional Name: 2-[(2,6-dimethylpyran-4-ylidene)methyl]-3-methyl-1,3-benzothiazol-3-ium perchlorate Formula: C16H16ClNO5S MolecularWeight: 369.81994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=[N+](C3=CC=CC=C3S2)C)C=C(O1)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=CC(=CC2=[N+](C3=CC=CC=C3S2)C)C=C(O1)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C16H16NOS.ClHO4/c1-11-8-13(9-12(2)18-11)10-16-17(3)14-6-4-5-7-15(14)19-16;2-1(3,4)5/h4-10H,1-3H3;(H,2,3,4,5)/q+1;/p-1