propan-2-yl 2-(2-phenethyl-1,3-benzothiazol-3-ium-3-yl)ethanoate bromide

Systemtic Name: propan-2-yl 2-(2-phenethyl-1,3-benzothiazol-3-ium-3-yl)ethanoate bromide Openeye Name: isopropyl 2-(2-phenethyl-1,3-benzothiazol-3-ium-3-yl)acetate bromide CAS Name: 2-(2-phenethyl-1,3-benzothiazol-3-ium-3-yl)acetic acid propan-2-yl ester bromide IUPAC Name: propan-2-yl 2-(2-phenethyl-1,3-benzothiazol-3-ium-3-yl)acetate bromide Traditional Name: 2-(2-phenethyl-1,3-benzothiazol-3-ium-3-yl)acetic acid isopropyl ester bromide Formula: C20H22BrNO2S MolecularWeight: 420.36318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C[N+]1=C(SC2=CC=CC=C21)CCC3=CC=CC=C3.[Br-]

Isomeric SMILES

CC(C)OC(=O)C[N+]1=C(SC2=CC=CC=C21)CCC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C20H22NO2S.BrH/c1-15(2)23-20(22)14-21-17-10-6-7-11-18(17)24-19(21)13-12-16-8-4-3-5-9-16;/h3-11,15H,12-14H2,1-2H3;1H/q+1;/p-1