[(4S)-4-benzamido-5-ethoxy-5-oxidanylidene-pentyl]-[bis(azanyl)methylidene]azanium chloride

Systemtic Name: [(4S)-4-benzamido-5-ethoxy-5-oxidanylidene-pentyl]-[bis(azanyl)methylidene]azanium chloride Openeye Name: [(4S)-4-benzamido-5-ethoxy-5-oxo-pentyl]-(diaminomethylene)ammonium chloride CAS Name: [(4S)-4-benzamido-5-ethoxy-5-oxopentyl]-(diaminomethylidene)ammonium chloride IUPAC Name: [(4S)-4-benzamido-5-ethoxy-5-oxopentyl]-(diaminomethylidene)azanium chloride Traditional Name: [(4S)-4-benzamido-5-ethoxy-5-keto-pentyl]-(diaminomethylene)ammonium chloride Formula: C15H23ClN4O3 MolecularWeight: 342.82112

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC[NH+]=C(N)N)NC(=O)C1=CC=CC=C1.[Cl-]

Isomeric SMILES

CCOC(=O)[C@H](CCC[NH+]=C(N)N)NC(=O)C1=CC=CC=C1.[Cl-]

InChI

InChI=1S/C15H22N4O3.ClH/c1-2-22-14(21)12(9-6-10-18-15(16)17)19-13(20)11-7-4-3-5-8-11;/h3-5,7-8,12H,2,6,9-10H2,1H3,(H,19,20)(H4,16,17,18);1H/t12-;/m0./s1