[1-(5-fluoranyl-2-methoxy-phenyl)sulfonylpiperidin-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [1-(5-fluoranyl-2-methoxy-phenyl)sulfonylpiperidin-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [1-(5-fluoro-2-methoxy-phenyl)sulfonyl-4-piperidyl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [1-(5-fluoro-2-methoxyphenyl)sulfonyl-4-piperidinyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidin-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [1-(5-fluoro-2-methoxy-phenyl)sulfonyl-4-piperidyl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C18H27FN3O4S+ MolecularWeight: 400.488083

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)F)OC

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)F)OC

InChI

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