3-(7-chloranyl-4,6-dimethoxy-1,3-benzothiazol-2-yl)propylazanium

Systemtic Name: 3-(7-chloranyl-4,6-dimethoxy-1,3-benzothiazol-2-yl)propylazanium Openeye Name: 3-(7-chloro-4,6-dimethoxy-1,3-benzothiazol-2-yl)propylammonium CAS Name: 3-(7-chloro-4,6-dimethoxy-1,3-benzothiazol-2-yl)propylammonium IUPAC Name: 3-(7-chloro-4,6-dimethoxy-1,3-benzothiazol-2-yl)propylazanium Traditional Name: 3-(7-chloro-4,6-dimethoxy-1,3-benzothiazol-2-yl)propylammonium Formula: C12H16ClN2O2S+ MolecularWeight: 287.78564

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C2=C1N=C(S2)CCC[NH3+])Cl)OC

Isomeric SMILES

COC1=CC(=C(C2=C1N=C(S2)CCC[NH3+])Cl)OC

InChI

InChI=1S/C12H15ClN2O2S/c1-16-7-6-8(17-2)11-12(10(7)13)18-9(15-11)4-3-5-14/h6H,3-5,14H2,1-2H3/p+1