6-chloranyl-3-(naphthalen-1-ylmethyl)-1,3-benzothiazol-3-ium bromide

Systemtic Name: 6-chloranyl-3-(naphthalen-1-ylmethyl)-1,3-benzothiazol-3-ium bromide Openeye Name: 6-chloro-3-(1-naphthylmethyl)-1,3-benzothiazol-3-ium bromide CAS Name: 6-chloro-3-(1-naphthalenylmethyl)-1,3-benzothiazol-3-ium bromide IUPAC Name: 6-chloro-3-(naphthalen-1-ylmethyl)-1,3-benzothiazol-3-ium bromide Traditional Name: 6-chloro-3-(1-naphthylmethyl)-1,3-benzothiazol-3-ium bromide Formula: C18H13BrClNS MolecularWeight: 390.72452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C[N+]3=CSC4=C3C=CC(=C4)Cl.[Br-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C[N+]3=CSC4=C3C=CC(=C4)Cl.[Br-]

InChI

InChI=1S/C18H13ClNS.BrH/c19-15-8-9-17-18(10-15)21-12-20(17)11-14-6-3-5-13-4-1-2-7-16(13)14;/h1-10,12H,11H2;1H/q+1;/p-1