1-[(3-bromanyl-4-methoxy-phenyl)methyl]-4-propylsulfonyl-piperazin-1-ium

Systemtic Name: 1-[(3-bromanyl-4-methoxy-phenyl)methyl]-4-propylsulfonyl-piperazin-1-ium Openeye Name: 1-[(3-bromo-4-methoxy-phenyl)methyl]-4-propylsulfonyl-piperazin-1-ium CAS Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-propylsulfonylpiperazin-1-ium IUPAC Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-propylsulfonylpiperazin-1-ium Traditional Name: 1-(3-bromo-4-methoxy-benzyl)-4-propylsulfonyl-piperazin-1-ium Formula: C15H24BrN2O3S+ MolecularWeight: 392.33166

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CC[NH+](CC1)CC2=CC(=C(C=C2)OC)Br

Isomeric SMILES

CCCS(=O)(=O)N1CC[NH+](CC1)CC2=CC(=C(C=C2)OC)Br

InChI

InChI=1S/C15H23BrN2O3S/c1-3-10-22(19,20)18-8-6-17(7-9-18)12-13-4-5-15(21-2)14(16)11-13/h4-5,11H,3,6-10,12H2,1-2H3/p+1