4-bromanyl-N-[3-(4-ethylpiperazin-4-ium-1-yl)propyl]-3-methyl-benzenesulfonamide

Systemtic Name: 4-bromanyl-N-[3-(4-ethylpiperazin-4-ium-1-yl)propyl]-3-methyl-benzenesulfonamide Openeye Name: 4-bromo-N-[3-(4-ethylpiperazin-4-ium-1-yl)propyl]-3-methyl-benzenesulfonamide CAS Name: 4-bromo-N-[3-(4-ethyl-1-piperazin-4-iumyl)propyl]-3-methylbenzenesulfonamide IUPAC Name: 4-bromo-N-[3-(4-ethylpiperazin-4-ium-1-yl)propyl]-3-methylbenzenesulfonamide Traditional Name: 4-bromo-N-[3-(4-ethylpiperazin-4-ium-1-yl)propyl]-3-methyl-benzenesulfonamide Formula: C16H27BrN3O2S+ MolecularWeight: 405.37348

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CCCNS(=O)(=O)C2=CC(=C(C=C2)Br)C

Isomeric SMILES

CC[NH+]1CCN(CC1)CCCNS(=O)(=O)C2=CC(=C(C=C2)Br)C

InChI

InChI=1S/C16H26BrN3O2S/c1-3-19-9-11-20(12-10-19)8-4-7-18-23(21,22)15-5-6-16(17)14(2)13-15/h5-6,13,18H,3-4,7-12H2,1-2H3/p+1