1-(1,3-benzodioxol-5-ylmethyl)-4-[4-(2-methylphenoxy)phenyl]sulfonyl-piperazin-1-ium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[4-(2-methylphenoxy)phenyl]sulfonyl-piperazin-1-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[4-(2-methylphenoxy)phenyl]sulfonyl-piperazin-1-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[4-(2-methylphenoxy)phenyl]sulfonylpiperazin-1-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[4-(2-methylphenoxy)phenyl]sulfonylpiperazin-1-ium Traditional Name: 1-[4-(2-methylphenoxy)phenyl]sulfonyl-4-piperonyl-piperazin-4-ium Formula: C25H27N2O5S+ MolecularWeight: 467.55728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=CC=C1OC2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H26N2O5S/c1-19-4-2-3-5-23(19)32-21-7-9-22(10-8-21)33(28,29)27-14-12-26(13-15-27)17-20-6-11-24-25(16-20)31-18-30-24/h2-11,16H,12-15,17-18H2,1H3/p+1