(8-carbamimidoyl-8-azabicyclo[3.2.1]octan-3-yl) 3-oxidanyl-2-phenyl-propanoate hydrochloride

Systemtic Name: (8-carbamimidoyl-8-azabicyclo[3.2.1]octan-3-yl) 3-oxidanyl-2-phenyl-propanoate hydrochloride Openeye Name: (8-carbamimidoyl-8-azabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenyl-propanoate hydrochloride CAS Name: 3-hydroxy-2-phenylpropanoic acid (8-carbamimidoyl-8-azabicyclo[3.2.1]octan-3-yl) ester hydrochloride IUPAC Name: (8-carbamimidoyl-8-azabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate hydrochloride Traditional Name: 3-hydroxy-2-phenyl-propionic acid (8-amidino-8-azabicyclo[3.2.1]octan-3-yl) ester hydrochloride Formula: C17H24ClN3O3 MolecularWeight: 353.84376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC(CC1N2C(=N)N)OC(=O)C(CO)C3=CC=CC=C3.Cl

Isomeric SMILES

C1CC2CC(CC1N2C(=N)N)OC(=O)C(CO)C3=CC=CC=C3.Cl

InChI

InChI=1S/C17H23N3O3.ClH/c18-17(19)20-12-6-7-13(20)9-14(8-12)23-16(22)15(10-21)11-4-2-1-3-5-11;/h1-5,12-15,21H,6-10H2,(H3,18,19);1H