3-[(4-fluorophenyl)-[2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanoyl]amino]propanamide

Systemtic Name: 3-[(4-fluorophenyl)-[2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanoyl]amino]propanamide Openeye Name: 3-(4-fluoro-N-[2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetyl]anilino)propanamide CAS Name: 3-(4-fluoro-N-[2-[(3S)-3-methyl-1-piperidin-1-iumyl]-1-oxoethyl]anilino)propanamide IUPAC Name: 3-(4-fluoro-N-[2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetyl]anilino)propanamide Traditional Name: 3-(4-fluoro-N-[2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetyl]anilino)propionamide Formula: C17H25FN3O2+ MolecularWeight: 322.397703

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC(=O)N(CCC(=O)N)C2=CC=C(C=C2)F

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC(=O)N(CCC(=O)N)C2=CC=C(C=C2)F

InChI

InChI=1S/C17H24FN3O2/c1-13-3-2-9-20(11-13)12-17(23)21(10-8-16(19)22)15-6-4-14(18)5-7-15/h4-7,13H,2-3,8-12H2,1H3,(H2,19,22)/p+1/t13-/m0/s1