(2S)-2-(4-fluoranylphenoxy)-N-(1-propan-2-ylpiperidin-1-ium-4-yl)propanamide

Systemtic Name: (2S)-2-(4-fluoranylphenoxy)-N-(1-propan-2-ylpiperidin-1-ium-4-yl)propanamide Openeye Name: (2S)-2-(4-fluorophenoxy)-N-(1-isopropylpiperidin-1-ium-4-yl)propanamide CAS Name: (2S)-2-(4-fluorophenoxy)-N-(1-propan-2-yl-4-piperidin-1-iumyl)propanamide IUPAC Name: (2S)-2-(4-fluorophenoxy)-N-(1-propan-2-ylpiperidin-1-ium-4-yl)propanamide Traditional Name: (2S)-2-(4-fluorophenoxy)-N-(1-isopropylpiperidin-1-ium-4-yl)propionamide Formula: C17H26FN2O2+ MolecularWeight: 309.398943

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(CC1)NC(=O)C(C)OC2=CC=C(C=C2)F

Isomeric SMILES

C[C@@H](C(=O)NC1CC[NH+](CC1)C(C)C)OC2=CC=C(C=C2)F

InChI

InChI=1S/C17H25FN2O2/c1-12(2)20-10-8-15(9-11-20)19-17(21)13(3)22-16-6-4-14(18)5-7-16/h4-7,12-13,15H,8-11H2,1-3H3,(H,19,21)/p+1/t13-/m0/s1