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

Systemtic Name: 2-[(E)-3-(2,6-dimethylpyran-4-ylidene)prop-1-enyl]-3-methyl-1,3-benzothiazol-3-ium perchlorate Openeye Name: 2-[(E)-3-(2,6-dimethylpyran-4-ylidene)prop-1-enyl]-3-methyl-1,3-benzothiazol-3-ium perchlorate CAS Name: 2-[(E)-3-(2,6-dimethyl-4-pyranylidene)prop-1-enyl]-3-methyl-1,3-benzothiazol-3-ium perchlorate IUPAC Name: 2-[(E)-3-(2,6-dimethylpyran-4-ylidene)prop-1-enyl]-3-methyl-1,3-benzothiazol-3-ium perchlorate Traditional Name: 2-[(E)-3-(2,6-dimethylpyran-4-ylidene)prop-1-enyl]-3-methyl-1,3-benzothiazol-3-ium perchlorate Formula: C18H18ClNO5S MolecularWeight: 395.85722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=C/C=C/C2=[N+](C3=CC=CC=C3S2)C)C=C(O1)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C18H18NOS.ClHO4/c1-13-11-15(12-14(2)20-13)7-6-10-18-19(3)16-8-4-5-9-17(16)21-18;2-1(3,4)5/h4-12H,1-3H3;(H,2,3,4,5)/q+1;/p-1/b10-6+;