N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-2-[4-(3-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(3-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=CC(=C3)F

Isomeric SMILES

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

InChI

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