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

Systemtic Name: 1-(4-bromophenyl)sulfonyl-4-[(3-methoxyphenyl)methyl]piperazin-4-ium Openeye Name: 1-(4-bromophenyl)sulfonyl-4-[(3-methoxyphenyl)methyl]piperazin-4-ium CAS Name: 1-(4-bromophenyl)sulfonyl-4-[(3-methoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(4-bromophenyl)sulfonyl-4-[(3-methoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-brosyl-4-m-anisyl-piperazin-4-ium Formula: C18H22BrN2O3S+ MolecularWeight: 426.34788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21BrN2O3S/c1-24-17-4-2-3-15(13-17)14-20-9-11-21(12-10-20)25(22,23)18-7-5-16(19)6-8-18/h2-8,13H,9-12,14H2,1H3/p+1