5-chloranyl-1-(phenylmethyl)-2,1-benzothiazol-1-ium

Systemtic Name: 5-chloranyl-1-(phenylmethyl)-2,1-benzothiazol-1-ium Openeye Name: 1-benzyl-5-chloro-2,1-benzothiazol-1-ium CAS Name: 5-chloro-1-(phenylmethyl)-2,1-benzothiazol-1-ium IUPAC Name: 1-benzyl-5-chloro-2,1-benzothiazol-1-ium Traditional Name: 1-benzyl-5-chloro-2,1-benzothiazol-1-ium Formula: C14H11ClNS+ MolecularWeight: 260.76184

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=C3C=CC(=CC3=CS2)Cl

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=C3C=CC(=CC3=CS2)Cl

InChI

InChI=1S/C14H11ClNS/c15-13-6-7-14-12(8-13)10-17-16(14)9-11-4-2-1-3-5-11/h1-8,10H,9H2/q+1