(3S)-1-(1-cyclopropylcarbonylpiperidin-4-yl)-N-[(5-fluoranyl-2-methyl-phenyl)methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-(1-cyclopropylcarbonylpiperidin-4-yl)-N-[(5-fluoranyl-2-methyl-phenyl)methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[1-(cyclopropanecarbonyl)-4-piperidyl]-N-[(5-fluoro-2-methyl-phenyl)methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[1-[cyclopropyl(oxo)methyl]-4-piperidinyl]-N-[(5-fluoro-2-methylphenyl)methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(5-fluoro-2-methylphenyl)methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[1-(cyclopropanecarbonyl)-4-piperidyl]-N-(5-fluoro-2-methyl-benzyl)piperidin-1-ium-3-carboxamide Formula: C23H33FN3O2+ MolecularWeight: 402.525423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)F)CNC(=O)C2CCC[NH+](C2)C3CCN(CC3)C(=O)C4CC4

Isomeric SMILES

CC1=C(C=C(C=C1)F)CNC(=O)[C@H]2CCC[NH+](C2)C3CCN(CC3)C(=O)C4CC4

InChI

InChI=1S/C23H32FN3O2/c1-16-4-7-20(24)13-19(16)14-25-22(28)18-3-2-10-27(15-18)21-8-11-26(12-9-21)23(29)17-5-6-17/h4,7,13,17-18,21H,2-3,5-6,8-12,14-15H2,1H3,(H,25,28)/p+1/t18-/m0/s1