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

Systemtic Name: (4-cyanophenyl) 4-[[bis(azanyl)methylideneamino]methyl]cyclohexane-1-carboxylate hydrochloride Openeye Name: (4-cyanophenyl) 4-(guanidinomethyl)cyclohexanecarboxylate hydrochloride CAS Name: 4-[(diaminomethylideneamino)methyl]-1-cyclohexanecarboxylic acid (4-cyanophenyl) ester hydrochloride IUPAC Name: (4-cyanophenyl) 4-[(diaminomethylideneamino)methyl]cyclohexane-1-carboxylate hydrochloride Traditional Name: 4-(guanidinomethyl)cyclohexanecarboxylic acid (4-cyanophenyl) ester hydrochloride Formula: C16H21ClN4O2 MolecularWeight: 336.81654

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN=C(N)N)C(=O)OC2=CC=C(C=C2)C#N.Cl

Isomeric SMILES

C1CC(CCC1CN=C(N)N)C(=O)OC2=CC=C(C=C2)C#N.Cl

InChI

InChI=1S/C16H20N4O2.ClH/c17-9-11-3-7-14(8-4-11)22-15(21)13-5-1-12(2-6-13)10-20-16(18)19;/h3-4,7-8,12-13H,1-2,5-6,10H2,(H4,18,19,20);1H