cyclooctyl-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]azanium

Systemtic Name: cyclooctyl-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]azanium Openeye Name: cyclooctyl-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]ammonium CAS Name: cyclooctyl-[2-[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]ammonium IUPAC Name: cyclooctyl-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]azanium Traditional Name: cyclooctyl-[2-[4-(3-fluorophenyl)sulfonylpiperazino]-2-keto-ethyl]ammonium Formula: C20H31FN3O3S+ MolecularWeight: 412.541843

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)[NH2+]CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

Isomeric SMILES

C1CCCC(CCC1)[NH2+]CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

InChI

InChI=1S/C20H30FN3O3S/c21-17-7-6-10-19(15-17)28(26,27)24-13-11-23(12-14-24)20(25)16-22-18-8-4-2-1-3-5-9-18/h6-7,10,15,18,22H,1-5,8-9,11-14,16H2/p+1