[1,4-bis(azanyl)-2,2-bis(fluoranyl)hex-5-ynyl]-ditert-butyl-carboxy-azanium

Systemtic Name: [1,4-bis(azanyl)-2,2-bis(fluoranyl)hex-5-ynyl]-ditert-butyl-carboxy-azanium Openeye Name: ditert-butyl-carboxy-(1,4-diamino-2,2-difluoro-hex-5-ynyl)ammonium CAS Name: ditert-butyl-carboxy-(1,4-diamino-2,2-difluorohex-5-ynyl)ammonium IUPAC Name: ditert-butyl-carboxy-(1,4-diamino-2,2-difluorohex-5-ynyl)azanium Traditional Name: ditert-butyl-carboxy-(1,4-diamino-2,2-difluoro-hex-5-ynyl)ammonium Formula: C15H28F2N3O2+ MolecularWeight: 320.398526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[N+](C(C(CC(C#C)N)(F)F)N)(C(=O)O)C(C)(C)C

Isomeric SMILES

CC(C)(C)[N+](C(C(CC(C#C)N)(F)F)N)(C(=O)O)C(C)(C)C

InChI

InChI=1S/C15H27F2N3O2/c1-8-10(18)9-15(16,17)11(19)20(12(21)22,13(2,3)4)14(5,6)7/h1,10-11H,9,18-19H2,2-7H3/p+1