2-azanyl-N-[(1-carbamimidoylpiperidin-4-yl)methyl]-2-cyclohexyl-ethanamide; ethanoyl fluoride

Systemtic Name: 2-azanyl-N-[(1-carbamimidoylpiperidin-4-yl)methyl]-2-cyclohexyl-ethanamide; ethanoyl fluoride Openeye Name: acetyl fluoride; 2-amino-N-[(1-carbamimidoyl-4-piperidyl)methyl]-2-cyclohexyl-acetamide CAS Name: acetyl fluoride; 2-amino-N-[(1-carbamimidoyl-4-piperidinyl)methyl]-2-cyclohexylacetamide IUPAC Name: acetyl fluoride; 2-amino-N-[(1-carbamimidoylpiperidin-4-yl)methyl]-2-cyclohexylacetamide Traditional Name: acetyl fluoride; N-[(1-amidino-4-piperidyl)methyl]-2-amino-2-cyclohexyl-acetamide Formula: C21H38F3N5O4 MolecularWeight: 481.55273

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)F.CC(=O)F.CC(=O)F.C1CCC(CC1)C(C(=O)NCC2CCN(CC2)C(=N)N)N

Isomeric SMILES

CC(=O)F.CC(=O)F.CC(=O)F.C1CCC(CC1)C(C(=O)NCC2CCN(CC2)C(=N)N)N

InChI

InChI=1S/C15H29N5O.3C2H3FO/c16-13(12-4-2-1-3-5-12)14(21)19-10-11-6-8-20(9-7-11)15(17)18;3*1-2(3)4/h11-13H,1-10,16H2,(H3,17,18)(H,19,21);3*1H3