(phenylmethyl) 2-[4-[[bis(azanyl)methylideneamino]methyl]cyclohexyl]carbonyloxybenzoate hydrate hydrochloride

Systemtic Name: (phenylmethyl) 2-[4-[[bis(azanyl)methylideneamino]methyl]cyclohexyl]carbonyloxybenzoate hydrate hydrochloride Openeye Name: benzyl 2-[4-(guanidinomethyl)cyclohexanecarbonyl]oxybenzoate hydrate hydrochloride CAS Name: 2-[[4-[(diaminomethylideneamino)methyl]cyclohexyl]-oxomethoxy]benzoic acid (phenylmethyl) ester hydrate hydrochloride IUPAC Name: benzyl 2-[4-[(diaminomethylideneamino)methyl]cyclohexanecarbonyl]oxybenzoate hydrate hydrochloride Traditional Name: 2-[4-(guanidinomethyl)cyclohexanecarbonyl]oxybenzoic acid benzyl ester hydrate hydrochloride Formula: C23H30ClN3O5 MolecularWeight: 463.9544

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN=C(N)N)C(=O)OC2=CC=CC=C2C(=O)OCC3=CC=CC=C3.O.Cl

Isomeric SMILES

C1CC(CCC1CN=C(N)N)C(=O)OC2=CC=CC=C2C(=O)OCC3=CC=CC=C3.O.Cl

InChI

InChI=1S/C23H27N3O4.ClH.H2O/c24-23(25)26-14-16-10-12-18(13-11-16)21(27)30-20-9-5-4-8-19(20)22(28)29-15-17-6-2-1-3-7-17;;/h1-9,16,18H,10-15H2,(H4,24,25,26);1H;1H2