N'-(3-fluoranyl-4-methyl-phenyl)-N-[(1-propan-2-ylpiperidin-1-ium-4-yl)methyl]ethanediamide

Systemtic Name: N'-(3-fluoranyl-4-methyl-phenyl)-N-[(1-propan-2-ylpiperidin-1-ium-4-yl)methyl]ethanediamide Openeye Name: N'-(3-fluoro-4-methyl-phenyl)-N-[(1-isopropylpiperidin-1-ium-4-yl)methyl]oxamide CAS Name: N'-(3-fluoro-4-methylphenyl)-N-[(1-propan-2-yl-4-piperidin-1-iumyl)methyl]oxamide IUPAC Name: N'-(3-fluoro-4-methylphenyl)-N-[(1-propan-2-ylpiperidin-1-ium-4-yl)methyl]oxamide Traditional Name: N'-(3-fluoro-4-methyl-phenyl)-N-[(1-isopropylpiperidin-1-ium-4-yl)methyl]oxamide Formula: C18H27FN3O2+ MolecularWeight: 336.424283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(=O)NCC2CC[NH+](CC2)C(C)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(=O)NCC2CC[NH+](CC2)C(C)C)F

InChI

InChI=1S/C18H26FN3O2/c1-12(2)22-8-6-14(7-9-22)11-20-17(23)18(24)21-15-5-4-13(3)16(19)10-15/h4-5,10,12,14H,6-9,11H2,1-3H3,(H,20,23)(H,21,24)/p+1