N-[[(2S)-4-(phenylmethyl)morpholin-4-ium-2-yl]methyl]-2-(4-propanoylphenoxy)ethanamide

Systemtic Name: N-[[(2S)-4-(phenylmethyl)morpholin-4-ium-2-yl]methyl]-2-(4-propanoylphenoxy)ethanamide Openeye Name: N-[[(2S)-4-benzylmorpholin-4-ium-2-yl]methyl]-2-(4-propanoylphenoxy)acetamide CAS Name: 2-[4-(1-oxopropyl)phenoxy]-N-[[(2S)-4-(phenylmethyl)-2-morpholin-4-iumyl]methyl]acetamide IUPAC Name: N-[[(2S)-4-benzylmorpholin-4-ium-2-yl]methyl]-2-(4-propanoylphenoxy)acetamide Traditional Name: N-[[(2S)-4-benzylmorpholin-4-ium-2-yl]methyl]-2-(4-propionylphenoxy)acetamide Formula: C23H29N2O4+ MolecularWeight: 397.48736

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OCC(=O)NCC2C[NH+](CCO2)CC3=CC=CC=C3

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OCC(=O)NC[C@H]2C[NH+](CCO2)CC3=CC=CC=C3

InChI

InChI=1S/C23H28N2O4/c1-2-22(26)19-8-10-20(11-9-19)29-17-23(27)24-14-21-16-25(12-13-28-21)15-18-6-4-3-5-7-18/h3-11,21H,2,12-17H2,1H3,(H,24,27)/p+1/t21-/m0/s1