3-methyl-2-[(E)-2-phenylethenyl]-1,3-benzothiazol-3-ium perchlorate

Systemtic Name: 3-methyl-2-[(E)-2-phenylethenyl]-1,3-benzothiazol-3-ium perchlorate Openeye Name: 3-methyl-2-[(E)-styryl]-1,3-benzothiazol-3-ium perchlorate CAS Name: 3-methyl-2-[(E)-2-phenylethenyl]-1,3-benzothiazol-3-ium perchlorate IUPAC Name: 3-methyl-2-[(E)-2-phenylethenyl]-1,3-benzothiazol-3-ium perchlorate Traditional Name: 3-methyl-2-[(E)-styryl]-1,3-benzothiazol-3-ium perchlorate Formula: C16H14ClNO4S MolecularWeight: 351.80466

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC2=CC=CC=C21)C=CC3=CC=CC=C3.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C[N+]1=C(SC2=CC=CC=C21)/C=C/C3=CC=CC=C3.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C16H14NS.ClHO4/c1-17-14-9-5-6-10-15(14)18-16(17)12-11-13-7-3-2-4-8-13;2-1(3,4)5/h2-12H,1H3;(H,2,3,4,5)/q+1;/p-1/b12-11+;