4-chloranyl-3-oxidanidyl-3-propyl-2H-1,3-benzothiazol-3-ium

Systemtic Name: 4-chloranyl-3-oxidanidyl-3-propyl-2H-1,3-benzothiazol-3-ium Openeye Name: 4-chloro-3-oxido-3-propyl-2H-1,3-benzothiazol-3-ium CAS Name: 4-chloro-3-oxido-3-propyl-2H-1,3-benzothiazol-3-ium IUPAC Name: 4-chloro-3-oxido-3-propyl-2H-1,3-benzothiazol-3-ium Traditional Name: 4-chloro-3-oxido-3-propyl-2H-1,3-benzothiazol-3-ium Formula: C10H12ClNOS MolecularWeight: 229.72638

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(CSC2=C1C(=CC=C2)Cl)[O-]

Isomeric SMILES

CCC[N+]1(CSC2=C1C(=CC=C2)Cl)[O-]

InChI

InChI=1S/C10H12ClNOS/c1-2-6-12(13)7-14-9-5-3-4-8(11)10(9)12/h3-5H,2,6-7H2,1H3