[1-(4-bromophenyl)sulfonylpiperidin-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [1-(4-bromophenyl)sulfonylpiperidin-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Openeye Name: [1-(4-bromophenyl)sulfonyl-4-piperidyl]-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: [1-(4-bromophenyl)sulfonyl-4-piperidinyl]-(4-ethyl-1-piperazin-4-iumyl)methanone IUPAC Name: [1-(4-bromophenyl)sulfonylpiperidin-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: (1-brosyl-4-piperidyl)-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C18H27BrN3O3S+ MolecularWeight: 445.39428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H26BrN3O3S/c1-2-20-11-13-21(14-12-20)18(23)15-7-9-22(10-8-15)26(24,25)17-5-3-16(19)4-6-17/h3-6,15H,2,7-14H2,1H3/p+1