(2-methanoylphenyl) 4-[[bis(azanyl)methylideneamino]methyl]cyclohexane-1-carboxylate hydrochloride

Systemtic Name: (2-methanoylphenyl) 4-[[bis(azanyl)methylideneamino]methyl]cyclohexane-1-carboxylate hydrochloride Openeye Name: (2-formylphenyl) 4-(guanidinomethyl)cyclohexanecarboxylate hydrochloride CAS Name: 4-[(diaminomethylideneamino)methyl]-1-cyclohexanecarboxylic acid (2-formylphenyl) ester hydrochloride IUPAC Name: (2-formylphenyl) 4-[(diaminomethylideneamino)methyl]cyclohexane-1-carboxylate hydrochloride Traditional Name: 4-(guanidinomethyl)cyclohexanecarboxylic acid (2-formylphenyl) ester hydrochloride Formula: C16H22ClN3O3 MolecularWeight: 339.81718

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN=C(N)N)C(=O)OC2=CC=CC=C2C=O.Cl

Isomeric SMILES

C1CC(CCC1CN=C(N)N)C(=O)OC2=CC=CC=C2C=O.Cl

InChI

InChI=1S/C16H21N3O3.ClH/c17-16(18)19-9-11-5-7-12(8-6-11)15(21)22-14-4-2-1-3-13(14)10-20;/h1-4,10-12H,5-9H2,(H4,17,18,19);1H