methyl 3-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]piperidin-3-yl]propanoate hydrochloride

Systemtic Name: methyl 3-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]piperidin-3-yl]propanoate hydrochloride Openeye Name: methyl 3-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-3-piperidyl]propanoate hydrochloride CAS Name: 3-[1-[6-(4-carbamimidoylphenyl)-3-pyridazinyl]-3-piperidinyl]propanoic acid methyl ester hydrochloride IUPAC Name: methyl 3-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]piperidin-3-yl]propanoate hydrochloride Traditional Name: 3-[1-[6-(4-amidinophenyl)pyridazin-3-yl]-3-piperidyl]propionic acid methyl ester hydrochloride Formula: C20H26ClN5O2 MolecularWeight: 403.90574

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1CCCN(C1)C2=NN=C(C=C2)C3=CC=C(C=C3)C(=N)N.Cl

Isomeric SMILES

COC(=O)CCC1CCCN(C1)C2=NN=C(C=C2)C3=CC=C(C=C3)C(=N)N.Cl

InChI

InChI=1S/C20H25N5O2.ClH/c1-27-19(26)11-4-14-3-2-12-25(13-14)18-10-9-17(23-24-18)15-5-7-16(8-6-15)20(21)22;/h5-10,14H,2-4,11-13H2,1H3,(H3,21,22);1H