N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-phenylmethoxy-benzamide

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-4-phenylmethoxy-benzamide Openeye Name: 4-benzyloxy-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]benzamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(4-morpholin-4-iumyl)ethyl]-4-phenylmethoxybenzamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]-4-phenylmethoxybenzamide Traditional Name: 4-benzoxy-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]benzamide Formula: C27H31N2O4+ MolecularWeight: 447.54604

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3)[NH+]4CCOCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3)[NH+]4CCOCC4

InChI

InChI=1S/C27H30N2O4/c1-31-24-11-7-22(8-12-24)26(29-15-17-32-18-16-29)19-28-27(30)23-9-13-25(14-10-23)33-20-21-5-3-2-4-6-21/h2-14,26H,15-20H2,1H3,(H,28,30)/p+1/t26-/m0/s1