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

Systemtic Name: (4-ethanoylphenyl) 4-[[bis(azanyl)methylideneamino]methyl]cyclohexane-1-carboxylate hydrochloride Openeye Name: (4-acetylphenyl) 4-(guanidinomethyl)cyclohexanecarboxylate hydrochloride CAS Name: 4-[(diaminomethylideneamino)methyl]-1-cyclohexanecarboxylic acid (4-acetylphenyl) ester hydrochloride IUPAC Name: (4-acetylphenyl) 4-[(diaminomethylideneamino)methyl]cyclohexane-1-carboxylate hydrochloride Traditional Name: 4-(guanidinomethyl)cyclohexanecarboxylic acid (4-acetylphenyl) ester hydrochloride Formula: C17H24ClN3O3 MolecularWeight: 353.84376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O3.ClH/c1-11(21)13-6-8-15(9-7-13)23-16(22)14-4-2-12(3-5-14)10-20-17(18)19;/h6-9,12,14H,2-5,10H2,1H3,(H4,18,19,20);1H