1-[(4-bromanyl-2,5-dimethoxy-phenyl)methyl]-4-[(E)-2-phenylethenyl]sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(4-bromanyl-2,5-dimethoxy-phenyl)methyl]-4-[(E)-2-phenylethenyl]sulfonyl-piperazin-1-ium Openeye Name: 1-[(4-bromo-2,5-dimethoxy-phenyl)methyl]-4-[(E)-styryl]sulfonyl-piperazin-1-ium CAS Name: 1-[(4-bromo-2,5-dimethoxyphenyl)methyl]-4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium IUPAC Name: 1-[(4-bromo-2,5-dimethoxyphenyl)methyl]-4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium Traditional Name: 1-(4-bromo-2,5-dimethoxy-benzyl)-4-[(E)-styryl]sulfonyl-piperazin-1-ium Formula: C21H26BrN2O4S+ MolecularWeight: 482.41114

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C[NH+]2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3)OC)Br

Isomeric SMILES

COC1=CC(=C(C=C1C[NH+]2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3)OC)Br

InChI

InChI=1S/C21H25BrN2O4S/c1-27-20-15-19(22)21(28-2)14-18(20)16-23-9-11-24(12-10-23)29(25,26)13-8-17-6-4-3-5-7-17/h3-8,13-15H,9-12,16H2,1-2H3/p+1/b13-8+