4-oxidanyl-N-[(3R,4R)-4-oxidanylazepan-1-ium-3-yl]benzamide

Systemtic Name: 4-oxidanyl-N-[(3R,4R)-4-oxidanylazepan-1-ium-3-yl]benzamide Openeye Name: 4-hydroxy-N-[(3R,4R)-4-hydroxyazepan-1-ium-3-yl]benzamide CAS Name: 4-hydroxy-N-[(3R,4R)-4-hydroxy-3-azepan-1-iumyl]benzamide IUPAC Name: 4-hydroxy-N-[(3R,4R)-4-hydroxyazepan-1-ium-3-yl]benzamide Traditional Name: 4-hydroxy-N-[(3R,4R)-4-hydroxyazepan-1-ium-3-yl]benzamide Formula: C13H19N2O3+ MolecularWeight: 251.30156

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C[NH2+]C1)NC(=O)C2=CC=C(C=C2)O)O

Isomeric SMILES

C1C[C@H]([C@@H](C[NH2+]C1)NC(=O)C2=CC=C(C=C2)O)O

InChI

InChI=1S/C13H18N2O3/c16-10-5-3-9(4-6-10)13(18)15-11-8-14-7-1-2-12(11)17/h3-6,11-12,14,16-17H,1-2,7-8H2,(H,15,18)/p+1/t11-,12-/m1/s1