(E)-2-azanyl-7-(1-azanylethylideneamino)-6-fluoranyl-2-methyl-hept-5-enoic acid hydrochloride

Systemtic Name: (E)-2-azanyl-7-(1-azanylethylideneamino)-6-fluoranyl-2-methyl-hept-5-enoic acid hydrochloride Openeye Name: (E)-2-amino-7-(1-aminoethylideneamino)-6-fluoro-2-methyl-hept-5-enoic acid hydrochloride CAS Name: (E)-2-amino-7-(1-aminoethylideneamino)-6-fluoro-2-methyl-5-heptenoic acid hydrochloride IUPAC Name: (E)-2-amino-7-(1-aminoethylideneamino)-6-fluoro-2-methylhept-5-enoic acid hydrochloride Traditional Name: (E)-2-amino-7-(1-aminoethylideneamino)-6-fluoro-2-methyl-hept-5-enoic acid hydrochloride Formula: C10H19ClFN3O2 MolecularWeight: 267.728163

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NCC(=CCCC(C)(C(=O)O)N)F)N.Cl

Isomeric SMILES

CC(=NC/C(=C\CCC(C)(C(=O)O)N)/F)N.Cl

InChI

InChI=1S/C10H18FN3O2.ClH/c1-7(12)14-6-8(11)4-3-5-10(2,13)9(15)16;/h4H,3,5-6,13H2,1-2H3,(H2,12,14)(H,15,16);1H/b8-4+;