(2R)-N-[(4-fluorophenyl)methyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2R)-N-[(4-fluorophenyl)methyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2R)-N-[(4-fluorophenyl)methyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: (2R)-N-[(4-fluorophenyl)methyl]-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-[(4-fluorophenyl)methyl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2R)-N-(4-fluorobenzyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propionamide Formula: C19H25FN4O+2 MolecularWeight: 344.426403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)F)[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=C(C=C1)F)[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C19H23FN4O/c1-15(19(25)22-14-16-5-7-17(20)8-6-16)23-10-12-24(13-11-23)18-4-2-3-9-21-18/h2-9,15H,10-14H2,1H3,(H,22,25)/p+2/t15-/m1/s1