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

Systemtic Name: 3-[4-[2-(2-methoxy-4-prop-2-enyl-phenoxy)ethyl]piperazin-4-ium-1-yl]-1,2-benzothiazole Openeye Name: 3-[4-[2-(4-allyl-2-methoxy-phenoxy)ethyl]piperazin-4-ium-1-yl]-1,2-benzothiazole CAS Name: 3-[4-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]-1-piperazin-4-iumyl]-1,2-benzothiazole IUPAC Name: 3-[4-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]piperazin-4-ium-1-yl]-1,2-benzothiazole Traditional Name: 3-[4-[2-(4-allyl-2-methoxy-phenoxy)ethyl]piperazin-4-ium-1-yl]-1,2-benzothiazole Formula: C23H28N3O2S+ MolecularWeight: 410.55232

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC=C)OCC[NH+]2CCN(CC2)C3=NSC4=CC=CC=C43

Isomeric SMILES

COC1=C(C=CC(=C1)CC=C)OCC[NH+]2CCN(CC2)C3=NSC4=CC=CC=C43

InChI

InChI=1S/C23H27N3O2S/c1-3-6-18-9-10-20(21(17-18)27-2)28-16-15-25-11-13-26(14-12-25)23-19-7-4-5-8-22(19)29-24-23/h3-5,7-10,17H,1,6,11-16H2,2H3/p+1