6-(azepan-1-ium-1-ylmethyl)-2-oxidanylidene-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide

Systemtic Name: 6-(azepan-1-ium-1-ylmethyl)-2-oxidanylidene-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide Openeye Name: 6-(azepan-1-ium-1-ylmethyl)-2-oxo-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-1H-pyridine-3-carboxamide CAS Name: 6-(1-azepan-1-iumylmethyl)-2-oxo-N-[[(2R)-2-oxolanyl]methyl]-1H-pyridine-3-carboxamide IUPAC Name: 6-(azepan-1-ium-1-ylmethyl)-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide Traditional Name: 6-(azepan-1-ium-1-ylmethyl)-2-keto-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-1H-pyridine-3-carboxamide Formula: C18H28N3O3+ MolecularWeight: 334.43322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=CC=C(C(=O)N2)C(=O)NCC3CCCO3

Isomeric SMILES

C1CCC[NH+](CC1)CC2=CC=C(C(=O)N2)C(=O)NC[C@H]3CCCO3

InChI

InChI=1S/C18H27N3O3/c22-17(19-12-15-6-5-11-24-15)16-8-7-14(20-18(16)23)13-21-9-3-1-2-4-10-21/h7-8,15H,1-6,9-13H2,(H,19,22)(H,20,23)/p+1/t15-/m1/s1