1-[3,4-bis(fluoranyl)phenyl]sulfonyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)piperidine-4-carboxamide

Systemtic Name: 1-[3,4-bis(fluoranyl)phenyl]sulfonyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)piperidine-4-carboxamide Openeye Name: 1-(3,4-difluorophenyl)sulfonyl-N-(1-isopropylpiperidin-1-ium-4-yl)piperidine-4-carboxamide CAS Name: 1-(3,4-difluorophenyl)sulfonyl-N-(1-propan-2-yl-4-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-(3,4-difluorophenyl)sulfonyl-N-(1-propan-2-ylpiperidin-1-ium-4-yl)piperidine-4-carboxamide Traditional Name: 1-(3,4-difluorophenyl)sulfonyl-N-(1-isopropylpiperidin-1-ium-4-yl)isonipecotamide Formula: C20H30F2N3O3S+ MolecularWeight: 430.532306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29F2N3O3S/c1-14(2)24-9-7-16(8-10-24)23-20(26)15-5-11-25(12-6-15)29(27,28)17-3-4-18(21)19(22)13-17/h3-4,13-16H,5-12H2,1-2H3,(H,23,26)/p+1