1-(1,3-benzodioxol-5-ylmethyl)-4-(2,5-diethoxy-4-methyl-phenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,5-diethoxy-4-methyl-phenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,5-diethoxy-4-methyl-phenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,5-diethoxy-4-methylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,5-diethoxy-4-methylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(2,5-diethoxy-4-methyl-phenyl)sulfonyl-4-piperonyl-piperazin-4-ium Formula: C23H31N2O6S+ MolecularWeight: 463.56704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1C)OCC)S(=O)(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC1=CC(=C(C=C1C)OCC)S(=O)(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H30N2O6S/c1-4-28-20-14-23(22(29-5-2)12-17(20)3)32(26,27)25-10-8-24(9-11-25)15-18-6-7-19-21(13-18)31-16-30-19/h6-7,12-14H,4-5,8-11,15-16H2,1-3H3/p+1