(5-methyl-2-propan-2-yl-phenyl) 4-[[bis(azanyl)methylideneamino]methyl]cyclohexane-1-carboxylate hydrochloride

Systemtic Name: (5-methyl-2-propan-2-yl-phenyl) 4-[[bis(azanyl)methylideneamino]methyl]cyclohexane-1-carboxylate hydrochloride Openeye Name: (2-isopropyl-5-methyl-phenyl) 4-(guanidinomethyl)cyclohexanecarboxylate hydrochloride CAS Name: 4-[(diaminomethylideneamino)methyl]-1-cyclohexanecarboxylic acid (5-methyl-2-propan-2-ylphenyl) ester hydrochloride IUPAC Name: (5-methyl-2-propan-2-ylphenyl) 4-[(diaminomethylideneamino)methyl]cyclohexane-1-carboxylate hydrochloride Traditional Name: 4-(guanidinomethyl)cyclohexanecarboxylic acid (2-isopropyl-5-methyl-phenyl) ester hydrochloride Formula: C19H30ClN3O2 MolecularWeight: 367.9134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O2.ClH/c1-12(2)16-9-4-13(3)10-17(16)24-18(23)15-7-5-14(6-8-15)11-22-19(20)21;/h4,9-10,12,14-15H,5-8,11H2,1-3H3,(H4,20,21,22);1H