1-(1,3-benzodioxol-5-ylmethyl)-4-(4-methoxyphenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-methoxyphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-methoxyphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-methoxyphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-methoxyphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(4-methoxyphenyl)sulfonyl-4-piperonyl-piperazin-4-ium Formula: C19H23N2O5S+ MolecularWeight: 391.46132

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H22N2O5S/c1-24-16-3-5-17(6-4-16)27(22,23)21-10-8-20(9-11-21)13-15-2-7-18-19(12-15)26-14-25-18/h2-7,12H,8-11,13-14H2,1H3/p+1