6-chloranyl-3-ethyl-2-methyl-5-phenyl-1,3-benzothiazol-3-ium

Systemtic Name: 6-chloranyl-3-ethyl-2-methyl-5-phenyl-1,3-benzothiazol-3-ium Openeye Name: 6-chloro-3-ethyl-2-methyl-5-phenyl-1,3-benzothiazol-3-ium CAS Name: 6-chloro-3-ethyl-2-methyl-5-phenyl-1,3-benzothiazol-3-ium IUPAC Name: 6-chloro-3-ethyl-2-methyl-5-phenyl-1,3-benzothiazol-3-ium Traditional Name: 6-chloro-3-ethyl-2-methyl-5-phenyl-1,3-benzothiazol-3-ium Formula: C16H15ClNS+ MolecularWeight: 288.815

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=C1C=C(C(=C2)Cl)C3=CC=CC=C3)C

Isomeric SMILES

CC[N+]1=C(SC2=C1C=C(C(=C2)Cl)C3=CC=CC=C3)C

InChI

InChI=1S/C16H15ClNS/c1-3-18-11(2)19-16-10-14(17)13(9-15(16)18)12-7-5-4-6-8-12/h4-10H,3H2,1-2H3/q+1