3-[4-[2-(2-prop-2-enoxyphenoxy)ethyl]piperazin-4-ium-1-yl]-1,2-benzothiazole

Systemtic Name: 3-[4-[2-(2-prop-2-enoxyphenoxy)ethyl]piperazin-4-ium-1-yl]-1,2-benzothiazole Openeye Name: 3-[4-[2-(2-allyloxyphenoxy)ethyl]piperazin-4-ium-1-yl]-1,2-benzothiazole CAS Name: 3-[4-[2-(2-prop-2-enoxyphenoxy)ethyl]-1-piperazin-4-iumyl]-1,2-benzothiazole IUPAC Name: 3-[4-[2-(2-prop-2-enoxyphenoxy)ethyl]piperazin-4-ium-1-yl]-1,2-benzothiazole Traditional Name: 3-[4-[2-(2-allyloxyphenoxy)ethyl]piperazin-4-ium-1-yl]-1,2-benzothiazole Formula: C22H26N3O2S+ MolecularWeight: 396.52574

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=CC=C1OCC[NH+]2CCN(CC2)C3=NSC4=CC=CC=C43

Isomeric SMILES

C=CCOC1=CC=CC=C1OCC[NH+]2CCN(CC2)C3=NSC4=CC=CC=C43

InChI

InChI=1S/C22H25N3O2S/c1-2-16-26-19-8-4-5-9-20(19)27-17-15-24-11-13-25(14-12-24)22-18-7-3-6-10-21(18)28-23-22/h2-10H,1,11-17H2/p+1