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

Systemtic Name: octan-2-yl 4-[[bis(azanyl)methylideneamino]methyl]cyclohexane-1-carboxylate hydrochloride Openeye Name: 1-methylheptyl 4-(guanidinomethyl)cyclohexanecarboxylate hydrochloride CAS Name: 4-[(diaminomethylideneamino)methyl]-1-cyclohexanecarboxylic acid octan-2-yl ester hydrochloride IUPAC Name: octan-2-yl 4-[(diaminomethylideneamino)methyl]cyclohexane-1-carboxylate hydrochloride Traditional Name: 4-(guanidinomethyl)cyclohexanecarboxylic acid 1-methylheptyl ester hydrochloride Formula: C17H34ClN3O2 MolecularWeight: 347.92376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC(=O)C1CCC(CC1)CN=C(N)N.Cl

Isomeric SMILES

CCCCCCC(C)OC(=O)C1CCC(CC1)CN=C(N)N.Cl

InChI

InChI=1S/C17H33N3O2.ClH/c1-3-4-5-6-7-13(2)22-16(21)15-10-8-14(9-11-15)12-20-17(18)19;/h13-15H,3-12H2,1-2H3,(H4,18,19,20);1H