3-(5-chloranyl-2-methyl-1,3-benzothiazol-3-ium-3-yl)propyl-trimethyl-azanium

Systemtic Name: 3-(5-chloranyl-2-methyl-1,3-benzothiazol-3-ium-3-yl)propyl-trimethyl-azanium Openeye Name: 3-(5-chloro-2-methyl-1,3-benzothiazol-3-ium-3-yl)propyl-trimethyl-ammonium CAS Name: 3-(5-chloro-2-methyl-1,3-benzothiazol-3-ium-3-yl)propyl-trimethylammonium IUPAC Name: 3-(5-chloro-2-methyl-1,3-benzothiazol-3-ium-3-yl)propyl-trimethylazanium Traditional Name: 3-(5-chloro-2-methyl-1,3-benzothiazol-3-ium-3-yl)propyl-trimethyl-ammonium Formula: C14H21ClN2S+2 MolecularWeight: 284.84794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(S1)C=CC(=C2)Cl)CCC[N+](C)(C)C

Isomeric SMILES

CC1=[N+](C2=C(S1)C=CC(=C2)Cl)CCC[N+](C)(C)C

InChI

InChI=1S/C14H21ClN2S/c1-11-16(8-5-9-17(2,3)4)13-10-12(15)6-7-14(13)18-11/h6-7,10H,5,8-9H2,1-4H3/q+2