4-[[1-(5-carbamimidoylpyridin-2-yl)piperidin-4-yl]carbonylamino]butanoic acid dihydrochloride

Systemtic Name: 4-[[1-(5-carbamimidoylpyridin-2-yl)piperidin-4-yl]carbonylamino]butanoic acid dihydrochloride Openeye Name: 4-[[1-(5-carbamimidoyl-2-pyridyl)piperidine-4-carbonyl]amino]butanoic acid dihydrochloride CAS Name: 4-[[[1-(5-carbamimidoyl-2-pyridinyl)-4-piperidinyl]-oxomethyl]amino]butanoic acid dihydrochloride IUPAC Name: 4-[[1-(5-carbamimidoylpyridin-2-yl)piperidine-4-carbonyl]amino]butanoic acid dihydrochloride Traditional Name: 4-[[1-(5-amidino-2-pyridyl)isonipecotoyl]amino]butyric acid dihydrochloride Formula: C16H25Cl2N5O3 MolecularWeight: 406.3074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCCC(=O)O)C2=NC=C(C=C2)C(=N)N.Cl.Cl

Isomeric SMILES

C1CN(CCC1C(=O)NCCCC(=O)O)C2=NC=C(C=C2)C(=N)N.Cl.Cl

InChI

InChI=1S/C16H23N5O3.2ClH/c17-15(18)12-3-4-13(20-10-12)21-8-5-11(6-9-21)16(24)19-7-1-2-14(22)23;;/h3-4,10-11H,1-2,5-9H2,(H3,17,18)(H,19,24)(H,22,23);2*1H