4-[(1S)-2-azanyl-2-oxidanylidene-1-phenyl-ethyl]-N-[(3-fluoranyl-4-methyl-phenyl)methyl]piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[(1S)-2-azanyl-2-oxidanylidene-1-phenyl-ethyl]-N-[(3-fluoranyl-4-methyl-phenyl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: 4-[(1S)-2-amino-2-oxo-1-phenyl-ethyl]-N-[(3-fluoro-4-methyl-phenyl)methyl]piperazin-4-ium-1-carboxamide CAS Name: 4-[(1S)-2-amino-2-oxo-1-phenylethyl]-N-[(3-fluoro-4-methylphenyl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(1S)-2-amino-2-oxo-1-phenylethyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: 4-[(1S)-2-amino-2-keto-1-phenyl-ethyl]-N-(3-fluoro-4-methyl-benzyl)piperazin-4-ium-1-carboxamide Formula: C21H26FN4O2+ MolecularWeight: 385.455143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C(=O)N)F

Isomeric SMILES

CC1=C(C=C(C=C1)CNC(=O)N2CC[NH+](CC2)[C@@H](C3=CC=CC=C3)C(=O)N)F

InChI

InChI=1S/C21H25FN4O2/c1-15-7-8-16(13-18(15)22)14-24-21(28)26-11-9-25(10-12-26)19(20(23)27)17-5-3-2-4-6-17/h2-8,13,19H,9-12,14H2,1H3,(H2,23,27)(H,24,28)/p+1/t19-/m0/s1