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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(5-bromanyl-2-methoxy-4-methyl-phenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(5-bromo-2-methoxy-4-methyl-phenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(5-bromo-2-methoxy-4-methylphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(5-bromo-2-methoxy-4-methylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(5-bromo-2-methoxy-4-methyl-phenyl)sulfonyl-4-piperonyl-piperazin-4-ium Formula: C20H24BrN2O5S+ MolecularWeight: 484.38396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)S(=O)(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

CC1=CC(=C(C=C1Br)S(=O)(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C20H23BrN2O5S/c1-14-9-19(26-2)20(11-16(14)21)29(24,25)23-7-5-22(6-8-23)12-15-3-4-17-18(10-15)28-13-27-17/h3-4,9-11H,5-8,12-13H2,1-2H3/p+1