1-[(2R)-1-[(3-fluorophenyl)methyl-methyl-amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2R)-1-[(3-fluorophenyl)methyl-methyl-amino]-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(1R)-2-[(3-fluorophenyl)methyl-methyl-amino]-1-methyl-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(2R)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2R)-1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(1R)-2-[(3-fluorobenzyl)-methyl-amino]-2-keto-1-methyl-ethyl]piperidin-1-ium-4-carboxamide Formula: C17H25FN3O2+ MolecularWeight: 322.397703

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)CC1=CC(=CC=C1)F)[NH+]2CCC(CC2)C(=O)N

Isomeric SMILES

C[C@H](C(=O)N(C)CC1=CC(=CC=C1)F)[NH+]2CCC(CC2)C(=O)N

InChI

InChI=1S/C17H24FN3O2/c1-12(21-8-6-14(7-9-21)16(19)22)17(23)20(2)11-13-4-3-5-15(18)10-13/h3-5,10,12,14H,6-9,11H2,1-2H3,(H2,19,22)/p+1/t12-/m1/s1