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

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)methyl]-4-(phenylmethyl)sulfonyl-piperazin-1-ium Openeye Name: 1-benzylsulfonyl-4-[(5-bromo-2-methoxy-phenyl)methyl]piperazin-4-ium CAS Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-4-(phenylmethyl)sulfonylpiperazin-1-ium IUPAC Name: 1-benzylsulfonyl-4-[(5-bromo-2-methoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-benzylsulfonyl-4-(5-bromo-2-methoxy-benzyl)piperazin-4-ium Formula: C19H24BrN2O3S+ MolecularWeight: 440.37446

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C19H23BrN2O3S/c1-25-19-8-7-18(20)13-17(19)14-21-9-11-22(12-10-21)26(23,24)15-16-5-3-2-4-6-16/h2-8,13H,9-12,14-15H2,1H3/p+1