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

Systemtic Name: N-[[(3S)-1-[2-(2-fluorophenyl)ethyl]piperidin-1-ium-3-yl]methyl]-N-methyl-3-pyrazin-2-yl-propanamide Openeye Name: N-[[(3S)-1-[2-(2-fluorophenyl)ethyl]piperidin-1-ium-3-yl]methyl]-N-methyl-3-pyrazin-2-yl-propanamide CAS Name: N-[[(3S)-1-[2-(2-fluorophenyl)ethyl]-3-piperidin-1-iumyl]methyl]-N-methyl-3-(2-pyrazinyl)propanamide IUPAC Name: N-[[(3S)-1-[2-(2-fluorophenyl)ethyl]piperidin-1-ium-3-yl]methyl]-N-methyl-3-pyrazin-2-ylpropanamide Traditional Name: N-[[(3S)-1-[2-(2-fluorophenyl)ethyl]piperidin-1-ium-3-yl]methyl]-N-methyl-3-pyrazin-2-yl-propionamide Formula: C22H30FN4O+ MolecularWeight: 385.498203

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1CCC[NH+](C1)CCC2=CC=CC=C2F)C(=O)CCC3=NC=CN=C3

Isomeric SMILES

CN(C[C@@H]1CCC[NH+](C1)CCC2=CC=CC=C2F)C(=O)CCC3=NC=CN=C3

InChI

InChI=1S/C22H29FN4O/c1-26(22(28)9-8-20-15-24-11-12-25-20)16-18-5-4-13-27(17-18)14-10-19-6-2-3-7-21(19)23/h2-3,6-7,11-12,15,18H,4-5,8-10,13-14,16-17H2,1H3/p+1/t18-/m0/s1