N-[[(3R)-1-[(2-azanylpyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]methyl]furan-2-carboxamide

Systemtic Name: N-[[(3R)-1-[(2-azanylpyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]methyl]furan-2-carboxamide Openeye Name: N-[[(3R)-1-[(2-aminopyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]methyl]furan-2-carboxamide CAS Name: N-[[(3R)-1-[(2-amino-5-pyrimidinyl)methyl]-3-piperidin-1-iumyl]methyl]-2-furancarboxamide IUPAC Name: N-[[(3R)-1-[(2-aminopyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]methyl]furan-2-carboxamide Traditional Name: N-[[(3R)-1-[(2-aminopyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]methyl]-2-furamide Formula: C16H22N5O2+ MolecularWeight: 316.37818

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CN=C(N=C2)N)CNC(=O)C3=CC=CO3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CN=C(N=C2)N)CNC(=O)C3=CC=CO3

InChI

InChI=1S/C16H21N5O2/c17-16-19-8-13(9-20-16)11-21-5-1-3-12(10-21)7-18-15(22)14-4-2-6-23-14/h2,4,6,8-9,12H,1,3,5,7,10-11H2,(H,18,22)(H2,17,19,20)/p+1/t12-/m1/s1