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

Systemtic Name: 4-(2-morpholin-4-ium-4-ylethoxy)-N-[(3R,4R)-4-oxidanyl-1-(phenylmethyl)azepan-1-ium-3-yl]benzamide Openeye Name: N-[(3R,4R)-1-benzyl-4-hydroxy-azepan-1-ium-3-yl]-4-(2-morpholin-4-ium-4-ylethoxy)benzamide CAS Name: N-[(3R,4R)-4-hydroxy-1-(phenylmethyl)-3-azepan-1-iumyl]-4-[2-(4-morpholin-4-iumyl)ethoxy]benzamide IUPAC Name: N-[(3R,4R)-1-benzyl-4-hydroxyazepan-1-ium-3-yl]-4-(2-morpholin-4-ium-4-ylethoxy)benzamide Traditional Name: N-[(3R,4R)-1-benzyl-4-hydroxy-azepan-1-ium-3-yl]-4-(2-morpholin-4-ium-4-ylethoxy)benzamide Formula: C26H37N3O4+2 MolecularWeight: 455.58968

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C[NH+](C1)CC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)OCC[NH+]4CCOCC4)O

Isomeric SMILES

C1C[C@H]([C@@H](C[NH+](C1)CC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)OCC[NH+]4CCOCC4)O

InChI

InChI=1S/C26H35N3O4/c30-25-7-4-12-29(19-21-5-2-1-3-6-21)20-24(25)27-26(31)22-8-10-23(11-9-22)33-18-15-28-13-16-32-17-14-28/h1-3,5-6,8-11,24-25,30H,4,7,12-20H2,(H,27,31)/p+2/t24-,25-/m1/s1