(2S)-3-methyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-2-(2-phenoxyethanoylamino)butanamide

Systemtic Name: (2S)-3-methyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-2-(2-phenoxyethanoylamino)butanamide Openeye Name: (2S)-3-methyl-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-2-[(2-phenoxyacetyl)amino]butanamide CAS Name: (2S)-3-methyl-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-2-[(1-oxo-2-phenoxyethyl)amino]butanamide IUPAC Name: (2S)-3-methyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-2-[(2-phenoxyacetyl)amino]butanamide Traditional Name: (2S)-3-methyl-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-2-[(2-phenoxyacetyl)amino]butyramide Formula: C23H31N4O4+ MolecularWeight: 427.51664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=C[NH+]=C(C=C1)N2CCOCC2)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)NCC1=C[NH+]=C(C=C1)N2CCOCC2)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C23H30N4O4/c1-17(2)22(26-21(28)16-31-19-6-4-3-5-7-19)23(29)25-15-18-8-9-20(24-14-18)27-10-12-30-13-11-27/h3-9,14,17,22H,10-13,15-16H2,1-2H3,(H,25,29)(H,26,28)/p+1/t22-/m0/s1