1-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-(4-methoxyphenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-(4-methoxyphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(5-bromo-2-methoxy-phenyl)methyl]-4-(4-methoxyphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(5-bromo-2-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=C(C=CC(=C3)Br)OC

Isomeric SMILES

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

InChI

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