1-(5-fluoranyl-2-methoxy-phenyl)sulfonyl-N-(2-morpholin-4-ium-4-ylethyl)piperidine-4-carboxamide

Systemtic Name: 1-(5-fluoranyl-2-methoxy-phenyl)sulfonyl-N-(2-morpholin-4-ium-4-ylethyl)piperidine-4-carboxamide Openeye Name: 1-(5-fluoro-2-methoxy-phenyl)sulfonyl-N-(2-morpholin-4-ium-4-ylethyl)piperidine-4-carboxamide CAS Name: 1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-[2-(4-morpholin-4-iumyl)ethyl]-4-piperidinecarboxamide IUPAC Name: 1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-(2-morpholin-4-ium-4-ylethyl)piperidine-4-carboxamide Traditional Name: 1-(5-fluoro-2-methoxy-phenyl)sulfonyl-N-(2-morpholin-4-ium-4-ylethyl)isonipecotamide Formula: C19H29FN3O5S+ MolecularWeight: 430.514063

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)S(=O)(=O)N2CCC(CC2)C(=O)NCC[NH+]3CCOCC3

Isomeric SMILES

COC1=C(C=C(C=C1)F)S(=O)(=O)N2CCC(CC2)C(=O)NCC[NH+]3CCOCC3

InChI

InChI=1S/C19H28FN3O5S/c1-27-17-3-2-16(20)14-18(17)29(25,26)23-7-4-15(5-8-23)19(24)21-6-9-22-10-12-28-13-11-22/h2-3,14-15H,4-13H2,1H3,(H,21,24)/p+1