N'-[5-azanyl-6-methyl-6,7-bis(oxidanyl)heptyl]ethanimidamide dihydrate

Systemtic Name: N'-[5-azanyl-6-methyl-6,7-bis(oxidanyl)heptyl]ethanimidamide dihydrate Openeye Name: N'-(5-amino-6,7-dihydroxy-6-methyl-heptyl)acetamidine dihydrate CAS Name: N'-(5-amino-6,7-dihydroxy-6-methylheptyl)ethanimidamide dihydrate IUPAC Name: N'-(5-amino-6,7-dihydroxy-6-methylheptyl)ethanimidamide dihydrate Traditional Name: N'-(5-amino-6,7-dihydroxy-6-methyl-heptyl)acetamidine dihydrate Formula: C10H27N3O4 MolecularWeight: 253.33908

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NCCCCC(C(C)(CO)O)N)N.O.O

Isomeric SMILES

CC(=NCCCCC(C(C)(CO)O)N)N.O.O

InChI

InChI=1S/C10H23N3O2.2H2O/c1-8(11)13-6-4-3-5-9(12)10(2,15)7-14;;/h9,14-15H,3-7,12H2,1-2H3,(H2,11,13);2*1H2