3-[4-[4-(2,6-dimethoxyphenoxy)butyl]piperazin-4-ium-1-yl]-1,2-benzothiazole

Systemtic Name: 3-[4-[4-(2,6-dimethoxyphenoxy)butyl]piperazin-4-ium-1-yl]-1,2-benzothiazole Openeye Name: 3-[4-[4-(2,6-dimethoxyphenoxy)butyl]piperazin-4-ium-1-yl]-1,2-benzothiazole CAS Name: 3-[4-[4-(2,6-dimethoxyphenoxy)butyl]-1-piperazin-4-iumyl]-1,2-benzothiazole IUPAC Name: 3-[4-[4-(2,6-dimethoxyphenoxy)butyl]piperazin-4-ium-1-yl]-1,2-benzothiazole Traditional Name: 3-[4-[4-(2,6-dimethoxyphenoxy)butyl]piperazin-4-ium-1-yl]-1,2-benzothiazole Formula: C23H30N3O3S+ MolecularWeight: 428.5676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O3S/c1-27-19-9-7-10-20(28-2)22(19)29-17-6-5-12-25-13-15-26(16-14-25)23-18-8-3-4-11-21(18)30-24-23/h3-4,7-11H,5-6,12-17H2,1-2H3/p+1