ethyl 4-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]piperidine-1-carboxylate CAS Name: 4-[4-(4-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]piperidine-1-carboxylate Traditional Name: 4-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]piperidine-1-carboxylic acid ethyl ester Formula: C18H27FN3O4S+ MolecularWeight: 400.488083

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)N1CCC(CC1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H26FN3O4S/c1-2-26-18(23)21-9-7-16(8-10-21)20-11-13-22(14-12-20)27(24,25)17-5-3-15(19)4-6-17/h3-6,16H,2,7-14H2,1H3/p+1