(8-carbamimidoyl-8-azabicyclo[3.2.1]octan-3-yl) 3,5-dimethylbenzoate hydrochloride

Systemtic Name: (8-carbamimidoyl-8-azabicyclo[3.2.1]octan-3-yl) 3,5-dimethylbenzoate hydrochloride Openeye Name: (8-carbamimidoyl-8-azabicyclo[3.2.1]octan-3-yl) 3,5-dimethylbenzoate hydrochloride CAS Name: 3,5-dimethylbenzoic 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) 3,5-dimethylbenzoate hydrochloride Traditional Name: 3,5-dimethylbenzoic acid (8-amidino-8-azabicyclo[3.2.1]octan-3-yl) ester hydrochloride Formula: C17H24ClN3O2 MolecularWeight: 337.84436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)OC2CC3CCC(C2)N3C(=N)N)C.Cl

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)OC2CC3CCC(C2)N3C(=N)N)C.Cl

InChI

InChI=1S/C17H23N3O2.ClH/c1-10-5-11(2)7-12(6-10)16(21)22-15-8-13-3-4-14(9-15)20(13)17(18)19;/h5-7,13-15H,3-4,8-9H2,1-2H3,(H3,18,19);1H