1-(4-bromophenyl)sulfonyl-4-[(5-methylfuran-2-yl)methyl]piperazin-4-ium

Systemtic Name: 1-(4-bromophenyl)sulfonyl-4-[(5-methylfuran-2-yl)methyl]piperazin-4-ium Openeye Name: 1-(4-bromophenyl)sulfonyl-4-[(5-methyl-2-furyl)methyl]piperazin-4-ium CAS Name: 1-(4-bromophenyl)sulfonyl-4-[(5-methyl-2-furanyl)methyl]piperazin-4-ium IUPAC Name: 1-(4-bromophenyl)sulfonyl-4-[(5-methylfuran-2-yl)methyl]piperazin-4-ium Traditional Name: 1-brosyl-4-[(5-methyl-2-furyl)methyl]piperazin-4-ium Formula: C16H20BrN2O3S+ MolecularWeight: 400.3106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=C(O1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C16H19BrN2O3S/c1-13-2-5-15(22-13)12-18-8-10-19(11-9-18)23(20,21)16-6-3-14(17)4-7-16/h2-7H,8-12H2,1H3/p+1