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

Systemtic Name: (3S)-N-[(5-fluoranyl-2-methyl-phenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-[(5-fluoro-2-methyl-phenyl)methyl]-1-(1-isopropyl-4-piperidyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[(5-fluoro-2-methylphenyl)methyl]-1-(1-propan-2-yl-4-piperidinyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[(5-fluoro-2-methylphenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-(5-fluoro-2-methyl-benzyl)-1-(1-isopropyl-4-piperidyl)piperidin-1-ium-3-carboxamide Formula: C22H35FN3O+ MolecularWeight: 376.531203

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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(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H34FN3O/c1-16(2)25-11-8-21(9-12-25)26-10-4-5-18(15-26)22(27)24-14-19-13-20(23)7-6-17(19)3/h6-7,13,16,18,21H,4-5,8-12,14-15H2,1-3H3,(H,24,27)/p+1/t18-/m0/s1