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

Systemtic Name: (2R)-2-(aminocarbonylamino)-3-methyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]butanamide Openeye Name: (2R)-3-methyl-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-2-ureido-butanamide CAS Name: (2R)-2-(carbamoylamino)-3-methyl-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]butanamide IUPAC Name: (2R)-2-(carbamoylamino)-3-methyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]butanamide Traditional Name: (2R)-3-methyl-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-2-ureido-butyramide Formula: C16H26N5O3+ MolecularWeight: 336.40934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N5O3/c1-11(2)14(20-16(17)23)15(22)19-10-12-3-4-13(18-9-12)21-5-7-24-8-6-21/h3-4,9,11,14H,5-8,10H2,1-2H3,(H,19,22)(H3,17,20,23)/p+1/t14-/m1/s1