1-[(3-bromanyl-4-methoxy-phenyl)methyl]-4-(phenylsulfonyl)piperazin-1-ium

Systemtic Name: 1-[(3-bromanyl-4-methoxy-phenyl)methyl]-4-(phenylsulfonyl)piperazin-1-ium Openeye Name: 1-(benzenesulfonyl)-4-[(3-bromo-4-methoxy-phenyl)methyl]piperazin-4-ium CAS Name: 1-(benzenesulfonyl)-4-[(3-bromo-4-methoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(benzenesulfonyl)-4-[(3-bromo-4-methoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-besyl-4-(3-bromo-4-methoxy-benzyl)piperazin-4-ium Formula: C18H22BrN2O3S+ MolecularWeight: 426.34788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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