(4S)-2-morpholin-4-ium-4-ylidene-6-oxidanylidene-N-(phenylmethyl)-1,3-diazinane-4-carboxamide

Systemtic Name: (4S)-2-morpholin-4-ium-4-ylidene-6-oxidanylidene-N-(phenylmethyl)-1,3-diazinane-4-carboxamide Openeye Name: (4S)-N-benzyl-2-morpholin-4-ium-4-ylidene-6-oxo-hexahydropyrimidine-4-carboxamide CAS Name: (4S)-2-(4-morpholin-4-iumylidene)-6-oxo-N-(phenylmethyl)-1,3-diazinane-4-carboxamide IUPAC Name: (4S)-N-benzyl-2-morpholin-4-ium-4-ylidene-6-oxo-1,3-diazinane-4-carboxamide Traditional Name: (4S)-N-benzyl-6-keto-2-morpholin-4-ium-4-ylidene-hexahydropyrimidine-4-carboxamide Formula: C16H21N4O3+ MolecularWeight: 317.36294

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[N+]1=C2NC(CC(=O)N2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

C1COCC[N+]1=C2N[C@@H](CC(=O)N2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C16H20N4O3/c21-14-10-13(15(22)17-11-12-4-2-1-3-5-12)18-16(19-14)20-6-8-23-9-7-20/h1-5,13H,6-11H2,(H2,17,18,19,21,22)/p+1/t13-/m0/s1