1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-(4-ethoxyphenoxy)ethanone

Systemtic Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-(4-ethoxyphenoxy)ethanone Openeye Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-(4-ethoxyphenoxy)ethanone CAS Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-2-(4-ethoxyphenoxy)ethanone IUPAC Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-(4-ethoxyphenoxy)ethanone Traditional Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-(4-ethoxyphenoxy)ethanone Formula: C22H26N3O3S+ MolecularWeight: 412.52514

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCC(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC1=CC=C(C=C1)OCC(=O)N2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H25N3O3S/c1-2-27-17-7-9-18(10-8-17)28-16-22(26)25-13-11-24(12-14-25)15-21-23-19-5-3-4-6-20(19)29-21/h3-10H,2,11-16H2,1H3/p+1