(phenylmethyl) 2-[2-(phenylmethyl)-1,3-benzothiazol-3-ium-3-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[2-(phenylmethyl)-1,3-benzothiazol-3-ium-3-yl]ethanoate Openeye Name: benzyl 2-(2-benzyl-1,3-benzothiazol-3-ium-3-yl)acetate CAS Name: 2-[2-(phenylmethyl)-1,3-benzothiazol-3-ium-3-yl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(2-benzyl-1,3-benzothiazol-3-ium-3-yl)acetate Traditional Name: 2-(2-benzyl-1,3-benzothiazol-3-ium-3-yl)acetic acid benzyl ester Formula: C23H20NO2S+ MolecularWeight: 374.4754

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=[N+](C3=CC=CC=C3S2)CC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CC2=[N+](C3=CC=CC=C3S2)CC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C23H20NO2S/c25-23(26-17-19-11-5-2-6-12-19)16-24-20-13-7-8-14-21(20)27-22(24)15-18-9-3-1-4-10-18/h1-14H,15-17H2/q+1