methyl 6-[[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-methyl-amino]hexanoate hydrochloride

Systemtic Name: methyl 6-[[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-methyl-amino]hexanoate hydrochloride Openeye Name: methyl 6-[[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-methyl-amino]hexanoate hydrochloride CAS Name: 6-[[6-(4-carbamimidoylphenyl)-3-pyridazinyl]-methylamino]hexanoic acid methyl ester hydrochloride IUPAC Name: methyl 6-[[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-methylamino]hexanoate hydrochloride Traditional Name: 6-[[6-(4-amidinophenyl)pyridazin-3-yl]-methyl-amino]hexanoic acid methyl ester hydrochloride Formula: C19H26ClN5O2 MolecularWeight: 391.89504

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCCC(=O)OC)C1=NN=C(C=C1)C2=CC=C(C=C2)C(=N)N.Cl

Isomeric SMILES

CN(CCCCCC(=O)OC)C1=NN=C(C=C1)C2=CC=C(C=C2)C(=N)N.Cl

InChI

InChI=1S/C19H25N5O2.ClH/c1-24(13-5-3-4-6-18(25)26-2)17-12-11-16(22-23-17)14-7-9-15(10-8-14)19(20)21;/h7-12H,3-6,13H2,1-2H3,(H3,20,21);1H