N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-2-[4-(4-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C20H29FN3O3S+ MolecularWeight: 410.525963

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CCC(=CC1)CCNC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H28FN3O3S/c21-18-6-8-19(9-7-18)28(26,27)24-14-12-23(13-15-24)16-20(25)22-11-10-17-4-2-1-3-5-17/h4,6-9H,1-3,5,10-16H2,(H,22,25)/p+1