(9-carbamimidoyl-9-azabicyclo[3.3.1]nonan-3-yl) 3,5-dimethylbenzoate hydrochloride

Systemtic Name: (9-carbamimidoyl-9-azabicyclo[3.3.1]nonan-3-yl) 3,5-dimethylbenzoate hydrochloride Openeye Name: (9-carbamimidoyl-9-azabicyclo[3.3.1]nonan-3-yl) 3,5-dimethylbenzoate hydrochloride CAS Name: 3,5-dimethylbenzoic acid (9-carbamimidoyl-9-azabicyclo[3.3.1]nonan-3-yl) ester hydrochloride IUPAC Name: (9-carbamimidoyl-9-azabicyclo[3.3.1]nonan-3-yl) 3,5-dimethylbenzoate hydrochloride Traditional Name: 3,5-dimethylbenzoic acid (9-amidino-9-azabicyclo[3.3.1]nonan-3-yl) ester hydrochloride Formula: C18H26ClN3O2 MolecularWeight: 351.87094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)OC2CC3CCCC(C2)N3C(=N)N)C.Cl

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)OC2CC3CCCC(C2)N3C(=N)N)C.Cl

InChI

InChI=1S/C18H25N3O2.ClH/c1-11-6-12(2)8-13(7-11)17(22)23-16-9-14-4-3-5-15(10-16)21(14)18(19)20;/h6-8,14-16H,3-5,9-10H2,1-2H3,(H3,19,20);1H