(2R)-N-[(3-fluorophenyl)methyl]-N-methyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2R)-N-[(3-fluorophenyl)methyl]-N-methyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2R)-N-[(3-fluorophenyl)methyl]-N-methyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide CAS Name: (2R)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-[(3-fluorophenyl)methyl]-N-methyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2R)-N-(3-fluorobenzyl)-N-methyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propionamide Formula: C20H27FN4O+2 MolecularWeight: 358.452983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)CC1=CC(=CC=C1)F)[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

C[C@H](C(=O)N(C)CC1=CC(=CC=C1)F)[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C20H25FN4O/c1-16(20(26)23(2)15-17-6-5-7-18(21)14-17)24-10-12-25(13-11-24)19-8-3-4-9-22-19/h3-9,14,16H,10-13,15H2,1-2H3/p+2/t16-/m1/s1