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

Systemtic Name: phenyl 1-[[bis(azanyl)methylideneamino]methyl]-4-phenyl-cyclohexane-1-carboxylate hydrochloride Openeye Name: phenyl 1-(guanidinomethyl)-4-phenyl-cyclohexanecarboxylate hydrochloride CAS Name: 1-[(diaminomethylideneamino)methyl]-4-phenyl-1-cyclohexanecarboxylic acid phenyl ester hydrochloride IUPAC Name: phenyl 1-[(diaminomethylideneamino)methyl]-4-phenylcyclohexane-1-carboxylate hydrochloride Traditional Name: 1-(guanidinomethyl)-4-phenyl-cyclohexanecarboxylic acid phenyl ester hydrochloride Formula: C21H26ClN3O2 MolecularWeight: 387.90304

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C2=CC=CC=C2)(CN=C(N)N)C(=O)OC3=CC=CC=C3.Cl

Isomeric SMILES

C1CC(CCC1C2=CC=CC=C2)(CN=C(N)N)C(=O)OC3=CC=CC=C3.Cl

InChI

InChI=1S/C21H25N3O2.ClH/c22-20(23)24-15-21(19(25)26-18-9-5-2-6-10-18)13-11-17(12-14-21)16-7-3-1-4-8-16;/h1-10,17H,11-15H2,(H4,22,23,24);1H