1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[(3-methoxyphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[(3-methoxyphenyl)methyl]piperazin-4-ium Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[(3-methoxyphenyl)methyl]piperazin-4-ium CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[(3-methoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[(3-methoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-m-anisyl-piperazin-4-ium Formula: C20H25N2O5S+ MolecularWeight: 405.4879

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

COC1=CC=CC(=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H24N2O5S/c1-25-17-4-2-3-16(13-17)15-21-7-9-22(10-8-21)28(23,24)18-5-6-19-20(14-18)27-12-11-26-19/h2-6,13-14H,7-12,15H2,1H3/p+1