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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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