1-(1,3-benzodioxol-5-ylmethyl)-4-(4-ethoxy-2,3-dimethyl-phenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-ethoxy-2,3-dimethyl-phenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-ethoxy-2,3-dimethyl-phenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-ethoxy-2,3-dimethylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-ethoxy-2,3-dimethylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(4-ethoxy-2,3-dimethyl-phenyl)sulfonyl-4-piperonyl-piperazin-4-ium Formula: C22H29N2O5S+ MolecularWeight: 433.54106

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)C)C

Isomeric SMILES

CCOC1=C(C(=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)C)C

InChI

InChI=1S/C22H28N2O5S/c1-4-27-19-7-8-22(17(3)16(19)2)30(25,26)24-11-9-23(10-12-24)14-18-5-6-20-21(13-18)29-15-28-20/h5-8,13H,4,9-12,14-15H2,1-3H3/p+1