methyl (E)-2-azanyl-7-(1-azanylethylideneamino)-2-methyl-hept-5-enoate hydrate dihydrochloride

Systemtic Name: methyl (E)-2-azanyl-7-(1-azanylethylideneamino)-2-methyl-hept-5-enoate hydrate dihydrochloride Openeye Name: methyl (E)-2-amino-7-(1-aminoethylideneamino)-2-methyl-hept-5-enoate hydrate dihydrochloride CAS Name: (E)-2-amino-7-(1-aminoethylideneamino)-2-methyl-5-heptenoic acid methyl ester hydrate dihydrochloride IUPAC Name: methyl (E)-2-amino-7-(1-aminoethylideneamino)-2-methylhept-5-enoate hydrate dihydrochloride Traditional Name: (E)-2-amino-7-(1-aminoethylideneamino)-2-methyl-hept-5-enoic acid methyl ester hydrate dihydrochloride Formula: C11H25Cl2N3O3 MolecularWeight: 318.2405

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H21N3O2.2ClH.H2O/c1-9(12)14-8-6-4-5-7-11(2,13)10(15)16-3;;;/h4,6H,5,7-8,13H2,1-3H3,(H2,12,14);2*1H;1H2/b6-4+;;;