4-[2-oxidanylidene-2-[[(2S)-4-(phenylmethyl)morpholin-4-ium-2-yl]methylamino]ethoxy]benzamide

Systemtic Name: 4-[2-oxidanylidene-2-[[(2S)-4-(phenylmethyl)morpholin-4-ium-2-yl]methylamino]ethoxy]benzamide Openeye Name: 4-[2-[[(2S)-4-benzylmorpholin-4-ium-2-yl]methylamino]-2-oxo-ethoxy]benzamide CAS Name: 4-[2-oxo-2-[[(2S)-4-(phenylmethyl)-2-morpholin-4-iumyl]methylamino]ethoxy]benzamide IUPAC Name: 4-[2-[[(2S)-4-benzylmorpholin-4-ium-2-yl]methylamino]-2-oxoethoxy]benzamide Traditional Name: 4-[2-[[(2S)-4-benzylmorpholin-4-ium-2-yl]methylamino]-2-keto-ethoxy]benzamide Formula: C21H26N3O4+ MolecularWeight: 384.44884

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C[NH+]1CC2=CC=CC=C2)CNC(=O)COC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

C1CO[C@H](C[NH+]1CC2=CC=CC=C2)CNC(=O)COC3=CC=C(C=C3)C(=O)N

InChI

InChI=1S/C21H25N3O4/c22-21(26)17-6-8-18(9-7-17)28-15-20(25)23-12-19-14-24(10-11-27-19)13-16-4-2-1-3-5-16/h1-9,19H,10-15H2,(H2,22,26)(H,23,25)/p+1/t19-/m0/s1