N-ethyl-N-[[(3R)-1-[2-(3-fluorophenyl)ethyl]piperidin-1-ium-3-yl]methyl]-3-pyrazol-1-yl-propanamide

Systemtic Name: N-ethyl-N-[[(3R)-1-[2-(3-fluorophenyl)ethyl]piperidin-1-ium-3-yl]methyl]-3-pyrazol-1-yl-propanamide Openeye Name: N-ethyl-N-[[(3R)-1-[2-(3-fluorophenyl)ethyl]piperidin-1-ium-3-yl]methyl]-3-pyrazol-1-yl-propanamide CAS Name: N-ethyl-N-[[(3R)-1-[2-(3-fluorophenyl)ethyl]-3-piperidin-1-iumyl]methyl]-3-(1-pyrazolyl)propanamide IUPAC Name: N-ethyl-N-[[(3R)-1-[2-(3-fluorophenyl)ethyl]piperidin-1-ium-3-yl]methyl]-3-pyrazol-1-ylpropanamide Traditional Name: N-ethyl-N-[[(3R)-1-[2-(3-fluorophenyl)ethyl]piperidin-1-ium-3-yl]methyl]-3-pyrazol-1-yl-propionamide Formula: C22H32FN4O+ MolecularWeight: 387.514083

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1CCC[NH+](C1)CCC2=CC(=CC=C2)F)C(=O)CCN3C=CC=N3

Isomeric SMILES

CCN(C[C@H]1CCC[NH+](C1)CCC2=CC(=CC=C2)F)C(=O)CCN3C=CC=N3

InChI

InChI=1S/C22H31FN4O/c1-2-26(22(28)10-15-27-13-5-11-24-27)18-20-7-4-12-25(17-20)14-9-19-6-3-8-21(23)16-19/h3,5-6,8,11,13,16,20H,2,4,7,9-10,12,14-15,17-18H2,1H3/p+1/t20-/m0/s1