3-(6-bromanyl-4-propan-2-yl-1,3-benzothiazol-2-yl)propylazanium

Systemtic Name: 3-(6-bromanyl-4-propan-2-yl-1,3-benzothiazol-2-yl)propylazanium Openeye Name: 3-(6-bromo-4-isopropyl-1,3-benzothiazol-2-yl)propylammonium CAS Name: 3-(6-bromo-4-propan-2-yl-1,3-benzothiazol-2-yl)propylammonium IUPAC Name: 3-(6-bromo-4-propan-2-yl-1,3-benzothiazol-2-yl)propylazanium Traditional Name: 3-(6-bromo-4-isopropyl-1,3-benzothiazol-2-yl)propylammonium Formula: C13H18BrN2S+ MolecularWeight: 314.26442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC2=C1N=C(S2)CCC[NH3+])Br

Isomeric SMILES

CC(C)C1=CC(=CC2=C1N=C(S2)CCC[NH3+])Br

InChI

InChI=1S/C13H17BrN2S/c1-8(2)10-6-9(14)7-11-13(10)16-12(17-11)4-3-5-15/h6-8H,3-5,15H2,1-2H3/p+1