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

Systemtic Name: (2-cyanophenyl) 4-[[bis(azanyl)methylideneamino]methyl]cyclohexane-1-carboxylate hydrochloride Openeye Name: (2-cyanophenyl) 4-(guanidinomethyl)cyclohexanecarboxylate hydrochloride CAS Name: 4-[(diaminomethylideneamino)methyl]-1-cyclohexanecarboxylic acid (2-cyanophenyl) ester hydrochloride IUPAC Name: (2-cyanophenyl) 4-[(diaminomethylideneamino)methyl]cyclohexane-1-carboxylate hydrochloride Traditional Name: 4-(guanidinomethyl)cyclohexanecarboxylic acid (2-cyanophenyl) ester hydrochloride Formula: C16H21ClN4O2 MolecularWeight: 336.81654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O2.ClH/c17-9-13-3-1-2-4-14(13)22-15(21)12-7-5-11(6-8-12)10-20-16(18)19;/h1-4,11-12H,5-8,10H2,(H4,18,19,20);1H