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

Systemtic Name: [3-carbamimidoyl-4-(3-piperidin-1-ylpropoxy)pyridin-2-yl] 4-methoxybenzoate hydrochloride Openeye Name: [3-carbamimidoyl-4-[3-(1-piperidyl)propoxy]-2-pyridyl] 4-methoxybenzoate hydrochloride CAS Name: 4-methoxybenzoic acid [3-carbamimidoyl-4-[3-(1-piperidinyl)propoxy]-2-pyridinyl] ester hydrochloride IUPAC Name: [3-carbamimidoyl-4-(3-piperidin-1-ylpropoxy)pyridin-2-yl] 4-methoxybenzoate hydrochloride Traditional Name: 4-methoxybenzoic acid [3-amidino-4-(3-piperidinopropoxy)-2-pyridyl] ester hydrochloride Formula: C22H29ClN4O4 MolecularWeight: 448.94306

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OC2=NC=CC(=C2C(=N)N)OCCCN3CCCCC3.Cl

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OC2=NC=CC(=C2C(=N)N)OCCCN3CCCCC3.Cl

InChI

InChI=1S/C22H28N4O4.ClH/c1-28-17-8-6-16(7-9-17)22(27)30-21-19(20(23)24)18(10-11-25-21)29-15-5-14-26-12-3-2-4-13-26;/h6-11H,2-5,12-15H2,1H3,(H3,23,24);1H