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

Systemtic Name: 1-[(3-bromanyl-4-methoxy-phenyl)methyl]-4-(4-methoxyphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(3-bromo-4-methoxy-phenyl)methyl]-4-(4-methoxyphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(3-bromo-4-methoxyphenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(3-bromo-4-methoxy-benzyl)-4-(4-methoxyphenyl)sulfonyl-piperazin-1-ium Formula: C19H24BrN2O4S+ MolecularWeight: 456.37386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23BrN2O4S/c1-25-16-4-6-17(7-5-16)27(23,24)22-11-9-21(10-12-22)14-15-3-8-19(26-2)18(20)13-15/h3-8,13H,9-12,14H2,1-2H3/p+1