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

Systemtic Name: N-cycloheptyl-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-cycloheptyl-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide CAS Name: N-cycloheptyl-2-[4-(3-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cycloheptyl-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Traditional Name: N-cycloheptyl-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide Formula: C19H29FN3O3S+ MolecularWeight: 398.515263

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

Isomeric SMILES

C1CCCC(CC1)NC(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

InChI

InChI=1S/C19H28FN3O3S/c20-16-6-5-9-18(14-16)27(25,26)23-12-10-22(11-13-23)15-19(24)21-17-7-3-1-2-4-8-17/h5-6,9,14,17H,1-4,7-8,10-13,15H2,(H,21,24)/p+1