4-(2-morpholin-4-ium-4-ylethoxy)-N-[(3R,4R)-4-oxidanyl-1-propan-2-yl-azepan-1-ium-3-yl]benzamide

Systemtic Name: 4-(2-morpholin-4-ium-4-ylethoxy)-N-[(3R,4R)-4-oxidanyl-1-propan-2-yl-azepan-1-ium-3-yl]benzamide Openeye Name: N-[(3R,4R)-4-hydroxy-1-isopropyl-azepan-1-ium-3-yl]-4-(2-morpholin-4-ium-4-ylethoxy)benzamide CAS Name: N-[(3R,4R)-4-hydroxy-1-propan-2-yl-3-azepan-1-iumyl]-4-[2-(4-morpholin-4-iumyl)ethoxy]benzamide IUPAC Name: N-[(3R,4R)-4-hydroxy-1-propan-2-ylazepan-1-ium-3-yl]-4-(2-morpholin-4-ium-4-ylethoxy)benzamide Traditional Name: N-[(3R,4R)-4-hydroxy-1-isopropyl-azepan-1-ium-3-yl]-4-(2-morpholin-4-ium-4-ylethoxy)benzamide Formula: C22H37N3O4+2 MolecularWeight: 407.54688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCCC(C(C1)NC(=O)C2=CC=C(C=C2)OCC[NH+]3CCOCC3)O

Isomeric SMILES

CC(C)[NH+]1CCC[C@H]([C@@H](C1)NC(=O)C2=CC=C(C=C2)OCC[NH+]3CCOCC3)O

InChI

InChI=1S/C22H35N3O4/c1-17(2)25-9-3-4-21(26)20(16-25)23-22(27)18-5-7-19(8-6-18)29-15-12-24-10-13-28-14-11-24/h5-8,17,20-21,26H,3-4,9-16H2,1-2H3,(H,23,27)/p+2/t20-,21-/m1/s1