(3S)-1-(4-fluorophenyl)sulfonyl-N-(4-methylpiperazin-4-ium-1-yl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-(4-fluorophenyl)sulfonyl-N-(4-methylpiperazin-4-ium-1-yl)piperidine-3-carboxamide Openeye Name: (3S)-1-(4-fluorophenyl)sulfonyl-N-(4-methylpiperazin-4-ium-1-yl)piperidine-3-carboxamide CAS Name: (3S)-1-(4-fluorophenyl)sulfonyl-N-(4-methyl-1-piperazin-4-iumyl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-(4-fluorophenyl)sulfonyl-N-(4-methylpiperazin-4-ium-1-yl)piperidine-3-carboxamide Traditional Name: (3S)-1-(4-fluorophenyl)sulfonyl-N-(4-methylpiperazin-4-ium-1-yl)nipecotamide Formula: C17H26FN4O3S+ MolecularWeight: 385.476743

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H25FN4O3S/c1-20-9-11-21(12-10-20)19-17(23)14-3-2-8-22(13-14)26(24,25)16-6-4-15(18)5-7-16/h4-7,14H,2-3,8-13H2,1H3,(H,19,23)/p+1/t14-/m0/s1