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

Systemtic Name: (4S)-N-(3-chloranyl-4-methyl-phenyl)-2-morpholin-4-ium-4-ylidene-6-oxidanylidene-1,3-diazinane-4-carboxamide Openeye Name: (4S)-N-(3-chloro-4-methyl-phenyl)-2-morpholin-4-ium-4-ylidene-6-oxo-hexahydropyrimidine-4-carboxamide CAS Name: (4S)-N-(3-chloro-4-methylphenyl)-2-(4-morpholin-4-iumylidene)-6-oxo-1,3-diazinane-4-carboxamide IUPAC Name: (4S)-N-(3-chloro-4-methylphenyl)-2-morpholin-4-ium-4-ylidene-6-oxo-1,3-diazinane-4-carboxamide Traditional Name: (4S)-N-(3-chloro-4-methyl-phenyl)-6-keto-2-morpholin-4-ium-4-ylidene-hexahydropyrimidine-4-carboxamide Formula: C16H20ClN4O3+ MolecularWeight: 351.808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2CC(=O)NC(=[N+]3CCOCC3)N2)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@@H]2CC(=O)NC(=[N+]3CCOCC3)N2)Cl

InChI

InChI=1S/C16H19ClN4O3/c1-10-2-3-11(8-12(10)17)18-15(23)13-9-14(22)20-16(19-13)21-4-6-24-7-5-21/h2-3,8,13H,4-7,9H2,1H3,(H2,18,19,20,22,23)/p+1/t13-/m0/s1