[3-carbamimidoyl-4-(3-piperidin-1-ylpropoxy)pyridin-2-yl] 3-(trifluoromethyl)benzoate hydrochloride

Systemtic Name: [3-carbamimidoyl-4-(3-piperidin-1-ylpropoxy)pyridin-2-yl] 3-(trifluoromethyl)benzoate hydrochloride Openeye Name: [3-carbamimidoyl-4-[3-(1-piperidyl)propoxy]-2-pyridyl] 3-(trifluoromethyl)benzoate hydrochloride CAS Name: 3-(trifluoromethyl)benzoic acid [3-carbamimidoyl-4-[3-(1-piperidinyl)propoxy]-2-pyridinyl] ester hydrochloride IUPAC Name: [3-carbamimidoyl-4-(3-piperidin-1-ylpropoxy)pyridin-2-yl] 3-(trifluoromethyl)benzoate hydrochloride Traditional Name: 3-(trifluoromethyl)benzoic acid [3-amidino-4-(3-piperidinopropoxy)-2-pyridyl] ester hydrochloride Formula: C22H26ClF3N4O3 MolecularWeight: 486.91505

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCOC2=C(C(=NC=C2)OC(=O)C3=CC(=CC=C3)C(F)(F)F)C(=N)N.Cl

Isomeric SMILES

C1CCN(CC1)CCCOC2=C(C(=NC=C2)OC(=O)C3=CC(=CC=C3)C(F)(F)F)C(=N)N.Cl

InChI

InChI=1S/C22H25F3N4O3.ClH/c23-22(24,25)16-7-4-6-15(14-16)21(30)32-20-18(19(26)27)17(8-9-28-20)31-13-5-12-29-10-2-1-3-11-29;/h4,6-9,14H,1-3,5,10-13H2,(H3,26,27);1H