1-(3-bromophenyl)sulfonyl-4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(3-bromophenyl)sulfonyl-4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium Openeye Name: 1-(3-bromophenyl)sulfonyl-4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium CAS Name: 1-(3-bromophenyl)sulfonyl-4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(3-bromophenyl)sulfonyl-4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-(3-bromophenyl)sulfonyl-4-veratryl-piperazin-4-ium Formula: C19H24BrN2O4S+ MolecularWeight: 456.37386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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