(2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-piperazin-4-ium-1-yl-propanamide

Systemtic Name: (2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-piperazin-4-ium-1-yl-propanamide Openeye Name: (2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-piperazin-4-ium-1-yl-propanamide CAS Name: (2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-(1-piperazin-4-iumyl)propanamide IUPAC Name: (2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-piperazin-4-ium-1-ylpropanamide Traditional Name: (2S)-N-(3-fluorobenzyl)-N-methyl-2-piperazin-4-ium-1-yl-propionamide Formula: C15H23FN3O+ MolecularWeight: 280.361023

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)CC1=CC(=CC=C1)F)N2CC[NH2+]CC2

Isomeric SMILES

C[C@@H](C(=O)N(C)CC1=CC(=CC=C1)F)N2CC[NH2+]CC2

InChI

InChI=1S/C15H22FN3O/c1-12(19-8-6-17-7-9-19)15(20)18(2)11-13-4-3-5-14(16)10-13/h3-5,10,12,17H,6-9,11H2,1-2H3/p+1/t12-/m0/s1