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

Systemtic Name: (2S)-2-acetamido-3-methyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]butanamide Openeye Name: (2S)-2-acetamido-3-methyl-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]butanamide CAS Name: (2S)-2-acetamido-3-methyl-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]butanamide IUPAC Name: (2S)-2-acetamido-3-methyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]butanamide Traditional Name: (2S)-2-acetamido-3-methyl-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]butyramide Formula: C17H27N4O3+ MolecularWeight: 335.42128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N4O3/c1-12(2)16(20-13(3)22)17(23)19-11-14-4-5-15(18-10-14)21-6-8-24-9-7-21/h4-5,10,12,16H,6-9,11H2,1-3H3,(H,19,23)(H,20,22)/p+1/t16-/m0/s1