2-[2-(azepan-1-ium-1-ylmethyl)-5-methoxy-4-oxidanylidene-pyridin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]ethanamide

Systemtic Name: 2-[2-(azepan-1-ium-1-ylmethyl)-5-methoxy-4-oxidanylidene-pyridin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]ethanamide Openeye Name: 2-[2-(azepan-1-ium-1-ylmethyl)-5-methoxy-4-oxo-1-pyridyl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]acetamide CAS Name: 2-[2-(1-azepan-1-iumylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-[[(2R)-2-oxolanyl]methyl]acetamide IUPAC Name: 2-[2-(azepan-1-ium-1-ylmethyl)-5-methoxy-4-oxopyridin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide Traditional Name: 2-[2-(azepan-1-ium-1-ylmethyl)-4-keto-5-methoxy-1-pyridyl]-N-[[(2R)-tetrahydrofuran-2-yl]methyl]acetamide Formula: C20H32N3O4+ MolecularWeight: 378.48578

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(C(=CC1=O)C[NH+]2CCCCCC2)CC(=O)NCC3CCCO3

Isomeric SMILES

COC1=CN(C(=CC1=O)C[NH+]2CCCCCC2)CC(=O)NC[C@H]3CCCO3

InChI

InChI=1S/C20H31N3O4/c1-26-19-14-23(15-20(25)21-12-17-7-6-10-27-17)16(11-18(19)24)13-22-8-4-2-3-5-9-22/h11,14,17H,2-10,12-13,15H2,1H3,(H,21,25)/p+1/t17-/m1/s1