5-(aminomethyl)-2-azanyl-8-(2-oxidanyldodecan-3-yloxy)octanoic acid hydrochloride

Systemtic Name: 5-(aminomethyl)-2-azanyl-8-(2-oxidanyldodecan-3-yloxy)octanoic acid hydrochloride Openeye Name: 2-amino-5-(aminomethyl)-8-[1-(1-hydroxyethyl)decoxy]octanoic acid hydrochloride CAS Name: 2-amino-5-(aminomethyl)-8-(2-hydroxydodecan-3-yloxy)octanoic acid hydrochloride IUPAC Name: 2-amino-5-(aminomethyl)-8-(2-hydroxydodecan-3-yloxy)octanoic acid hydrochloride Traditional Name: 2-amino-5-(aminomethyl)-8-[1-(1-hydroxyethyl)decoxy]caprylic acid hydrochloride Formula: C21H45ClN2O4 MolecularWeight: 425.046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(C(C)O)OCCCC(CCC(C(=O)O)N)CN.Cl

Isomeric SMILES

CCCCCCCCCC(C(C)O)OCCCC(CCC(C(=O)O)N)CN.Cl

InChI

InChI=1S/C21H44N2O4.ClH/c1-3-4-5-6-7-8-9-12-20(17(2)24)27-15-10-11-18(16-22)13-14-19(23)21(25)26;/h17-20,24H,3-16,22-23H2,1-2H3,(H,25,26);1H