2-(1,3-benzothiazol-3-ium-3-yl)-N,N-bis(phenylmethyl)ethanamide bromide

Systemtic Name: 2-(1,3-benzothiazol-3-ium-3-yl)-N,N-bis(phenylmethyl)ethanamide bromide Openeye Name: 2-(1,3-benzothiazol-3-ium-3-yl)-N,N-dibenzyl-acetamide bromide CAS Name: 2-(1,3-benzothiazol-3-ium-3-yl)-N,N-bis(phenylmethyl)acetamide bromide IUPAC Name: 2-(1,3-benzothiazol-3-ium-3-yl)-N,N-dibenzylacetamide bromide Traditional Name: 2-(1,3-benzothiazol-3-ium-3-yl)-N,N-dibenzyl-acetamide bromide Formula: C23H21BrN2OS MolecularWeight: 453.39464

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)C[N+]3=CSC4=CC=CC=C43.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)C[N+]3=CSC4=CC=CC=C43.[Br-]

InChI

InChI=1S/C23H21N2OS.BrH/c26-23(17-25-18-27-22-14-8-7-13-21(22)25)24(15-19-9-3-1-4-10-19)16-20-11-5-2-6-12-20;/h1-14,18H,15-17H2;1H/q+1;/p-1