2-[(4S)-4-azanyl-5-(2-azanylethylamino)pentyl]-1-nitro-guanidine; fluoranyl ethanoate

Systemtic Name: 2-[(4S)-4-azanyl-5-(2-azanylethylamino)pentyl]-1-nitro-guanidine; fluoranyl ethanoate Openeye Name: 2-[(4S)-4-amino-5-(2-aminoethylamino)pentyl]-1-nitro-guanidine; fluoro acetate CAS Name: acetic acid fluoro ester; 2-[(4S)-4-amino-5-(2-aminoethylamino)pentyl]-1-nitroguanidine IUPAC Name: 2-[(4S)-4-amino-5-(2-aminoethylamino)pentyl]-1-nitroguanidine; fluoro acetate Traditional Name: acetic acid fluoro ester; 2-[(4S)-4-amino-5-(2-aminoethylamino)pentyl]-1-nitro-guanidine Formula: C14H30F3N7O8 MolecularWeight: 481.42531

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OF.CC(=O)OF.CC(=O)OF.C(CC(CNCCN)N)CN=C(N)N[N+](=O)[O-]

Isomeric SMILES

CC(=O)OF.CC(=O)OF.CC(=O)OF.C(C[C@@H](CNCCN)N)CN=C(N)N[N+](=O)[O-]

InChI

InChI=1S/C8H21N7O2.3C2H3FO2/c9-3-5-12-6-7(10)2-1-4-13-8(11)14-15(16)17;3*1-2(4)5-3/h7,12H,1-6,9-10H2,(H3,11,13,14);3*1H3/t7-;;;/m0.../s1