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

Systemtic Name: (4-propanoylphenyl) 4-[[bis(azanyl)methylideneamino]methyl]cyclohexane-1-carboxylate hydrochloride Openeye Name: (4-propanoylphenyl) 4-(guanidinomethyl)cyclohexanecarboxylate hydrochloride CAS Name: 4-[(diaminomethylideneamino)methyl]-1-cyclohexanecarboxylic acid [4-(1-oxopropyl)phenyl] ester hydrochloride IUPAC Name: (4-propanoylphenyl) 4-[(diaminomethylideneamino)methyl]cyclohexane-1-carboxylate hydrochloride Traditional Name: 4-(guanidinomethyl)cyclohexanecarboxylic acid (4-propionylphenyl) ester hydrochloride Formula: C18H26ClN3O3 MolecularWeight: 367.87034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O3.ClH/c1-2-16(22)13-7-9-15(10-8-13)24-17(23)14-5-3-12(4-6-14)11-21-18(19)20;/h7-10,12,14H,2-6,11H2,1H3,(H4,19,20,21);1H