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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-bromanyl-3-methoxy-phenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-bromo-3-methoxy-phenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-bromo-3-methoxyphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(4-bromo-3-methoxyphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(4-bromo-3-methoxy-phenyl)sulfonyl-4-piperonyl-piperazin-4-ium Formula: C19H22BrN2O5S+ MolecularWeight: 470.35738

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)Br

Isomeric SMILES

COC1=C(C=CC(=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)Br

InChI

InChI=1S/C19H21BrN2O5S/c1-25-18-11-15(3-4-16(18)20)28(23,24)22-8-6-21(7-9-22)12-14-2-5-17-19(10-14)27-13-26-17/h2-5,10-11H,6-9,12-13H2,1H3/p+1