(2S)-N-(2-azanyl-4-fluoranyl-phenyl)-2-(4-methylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(2-azanyl-4-fluoranyl-phenyl)-2-(4-methylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(2-amino-4-fluoro-phenyl)-2-(4-methylpiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-N-(2-amino-4-fluorophenyl)-2-(4-methyl-1-piperazin-1-iumyl)propanamide IUPAC Name: (2S)-N-(2-amino-4-fluorophenyl)-2-(4-methylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(2-amino-4-fluoro-phenyl)-2-(4-methylpiperazin-1-ium-1-yl)propionamide Formula: C14H22FN4O+ MolecularWeight: 281.349083

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)F)N)[NH+]2CCN(CC2)C

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=C(C=C1)F)N)[NH+]2CCN(CC2)C

InChI

InChI=1S/C14H21FN4O/c1-10(19-7-5-18(2)6-8-19)14(20)17-13-4-3-11(15)9-12(13)16/h3-4,9-10H,5-8,16H2,1-2H3,(H,17,20)/p+1/t10-/m0/s1