3-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-1,2-benzothiazole 1,1-dioxide

Systemtic Name: 3-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-1,2-benzothiazole 1,1-dioxide Openeye Name: 3-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-1,2-benzothiazole 1,1-dioxide CAS Name: 3-[4-[(2,5-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-1,2-benzothiazole 1,1-dioxide IUPAC Name: 3-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-1,2-benzothiazole 1,1-dioxide Traditional Name: 3-[4-(2,5-dimethoxybenzyl)piperazin-4-ium-1-yl]-1,2-benzothiazole 1,1-dioxide Formula: C20H24N3O4S+ MolecularWeight: 402.48726

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C20H23N3O4S/c1-26-16-7-8-18(27-2)15(13-16)14-22-9-11-23(12-10-22)20-17-5-3-4-6-19(17)28(24,25)21-20/h3-8,13H,9-12,14H2,1-2H3/p+1