1-ethyl-2-methyl-benzo[e][1,3]benzothiazol-1-ium perchlorate

Systemtic Name: 1-ethyl-2-methyl-benzo[e][1,3]benzothiazol-1-ium perchlorate Openeye Name: 1-ethyl-2-methyl-benzo[e][1,3]benzothiazol-1-ium perchlorate CAS Name: 1-ethyl-2-methylbenzo[e][1,3]benzothiazol-1-ium perchlorate IUPAC Name: 1-ethyl-2-methylbenzo[e][1,3]benzothiazol-1-ium perchlorate Traditional Name: 1-ethyl-2-methyl-benzo[e][1,3]benzothiazol-1-ium perchlorate Formula: C14H14ClNO4S MolecularWeight: 327.78326

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=C1C3=CC=CC=C3C=C2)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC[N+]1=C(SC2=C1C3=CC=CC=C3C=C2)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C14H14NS.ClHO4/c1-3-15-10(2)16-13-9-8-11-6-4-5-7-12(11)14(13)15;2-1(3,4)5/h4-9H,3H2,1-2H3;(H,2,3,4,5)/q+1;/p-1