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

Systemtic Name: (4-methylphenyl) 4-[[bis(azanyl)methylideneamino]methyl]cyclohexane-1-carboxylate hydrochloride Openeye Name: p-tolyl 4-(guanidinomethyl)cyclohexanecarboxylate hydrochloride CAS Name: 4-[(diaminomethylideneamino)methyl]-1-cyclohexanecarboxylic acid (4-methylphenyl) ester hydrochloride IUPAC Name: (4-methylphenyl) 4-[(diaminomethylideneamino)methyl]cyclohexane-1-carboxylate hydrochloride Traditional Name: 4-(guanidinomethyl)cyclohexanecarboxylic acid p-tolyl ester hydrochloride Formula: C16H24ClN3O2 MolecularWeight: 325.83366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC(=O)C2CCC(CC2)CN=C(N)N.Cl

Isomeric SMILES

CC1=CC=C(C=C1)OC(=O)C2CCC(CC2)CN=C(N)N.Cl

InChI

InChI=1S/C16H23N3O2.ClH/c1-11-2-8-14(9-3-11)21-15(20)13-6-4-12(5-7-13)10-19-16(17)18;/h2-3,8-9,12-13H,4-7,10H2,1H3,(H4,17,18,19);1H