(2R)-2-morpholin-4-ium-4-yl-N-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)propanamide

Systemtic Name: (2R)-2-morpholin-4-ium-4-yl-N-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)propanamide Openeye Name: (2R)-2-morpholin-4-ium-4-yl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide CAS Name: (2R)-2-(4-morpholin-4-iumyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide IUPAC Name: (2R)-2-morpholin-4-ium-4-yl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide Traditional Name: (2R)-N-(2-keto-1,3-dihydrobenzimidazol-5-yl)-2-morpholin-4-ium-4-yl-propionamide Formula: C14H19N4O3+ MolecularWeight: 291.32566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)NC(=O)N2)[NH+]3CCOCC3

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)NC(=O)N2)[NH+]3CCOCC3

InChI

InChI=1S/C14H18N4O3/c1-9(18-4-6-21-7-5-18)13(19)15-10-2-3-11-12(8-10)17-14(20)16-11/h2-3,8-9H,4-7H2,1H3,(H,15,19)(H2,16,17,20)/p+1/t9-/m1/s1