methyl 4-[[1-(5-carbamimidoylpyridin-2-yl)piperidin-4-yl]carbonylamino]butanoate hydrochloride

Systemtic Name: methyl 4-[[1-(5-carbamimidoylpyridin-2-yl)piperidin-4-yl]carbonylamino]butanoate hydrochloride Openeye Name: methyl 4-[[1-(5-carbamimidoyl-2-pyridyl)piperidine-4-carbonyl]amino]butanoate hydrochloride CAS Name: 4-[[[1-(5-carbamimidoyl-2-pyridinyl)-4-piperidinyl]-oxomethyl]amino]butanoic acid methyl ester hydrochloride IUPAC Name: methyl 4-[[1-(5-carbamimidoylpyridin-2-yl)piperidine-4-carbonyl]amino]butanoate hydrochloride Traditional Name: 4-[[1-(5-amidino-2-pyridyl)isonipecotoyl]amino]butyric acid methyl ester hydrochloride Formula: C17H26ClN5O3 MolecularWeight: 383.87304

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)C1CCN(CC1)C2=NC=C(C=C2)C(=N)N.Cl

Isomeric SMILES

COC(=O)CCCNC(=O)C1CCN(CC1)C2=NC=C(C=C2)C(=N)N.Cl

InChI

InChI=1S/C17H25N5O3.ClH/c1-25-15(23)3-2-8-20-17(24)12-6-9-22(10-7-12)14-5-4-13(11-21-14)16(18)19;/h4-5,11-12H,2-3,6-10H2,1H3,(H3,18,19)(H,20,24);1H