N-[(2S)-1-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]benzamide

Systemtic Name: N-[(2S)-1-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]benzamide Openeye Name: N-[(1S)-1-benzyl-2-[(2-morpholinopyridin-1-ium-3-yl)methylamino]-2-oxo-ethyl]benzamide CAS Name: N-[(2S)-1-[[2-(4-morpholinyl)-3-pyridin-1-iumyl]methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide IUPAC Name: N-[(2S)-1-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide Traditional Name: N-[(1S)-1-benzyl-2-keto-2-[(2-morpholinopyridin-1-ium-3-yl)methylamino]ethyl]benzamide Formula: C26H29N4O3+ MolecularWeight: 445.53346

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=CC=[NH+]2)CNC(=O)C(CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1COCCN1C2=C(C=CC=[NH+]2)CNC(=O)[C@H](CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H28N4O3/c31-25(21-10-5-2-6-11-21)29-23(18-20-8-3-1-4-9-20)26(32)28-19-22-12-7-13-27-24(22)30-14-16-33-17-15-30/h1-13,23H,14-19H2,(H,28,32)(H,29,31)/p+1/t23-/m0/s1