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

Systemtic Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-N-methyl-3-pyrazin-2-yl-propanamide Openeye Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-N-methyl-3-pyrazin-2-yl-propanamide CAS Name: N-[(3S)-1-[(2-fluorophenyl)methyl]-3-piperidin-1-iumyl]-N-methyl-3-(2-pyrazinyl)propanamide IUPAC Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-N-methyl-3-pyrazin-2-ylpropanamide Traditional Name: N-[(3S)-1-(2-fluorobenzyl)piperidin-1-ium-3-yl]-N-methyl-3-pyrazin-2-yl-propionamide Formula: C20H26FN4O+ MolecularWeight: 357.445043

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC[NH+](C1)CC2=CC=CC=C2F)C(=O)CCC3=NC=CN=C3

Isomeric SMILES

CN([C@H]1CCC[NH+](C1)CC2=CC=CC=C2F)C(=O)CCC3=NC=CN=C3

InChI

InChI=1S/C20H25FN4O/c1-24(20(26)9-8-17-13-22-10-11-23-17)18-6-4-12-25(15-18)14-16-5-2-3-7-19(16)21/h2-3,5,7,10-11,13,18H,4,6,8-9,12,14-15H2,1H3/p+1/t18-/m0/s1