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

Systemtic Name: [(4S)-4-benzamido-5-ethoxy-5-oxidanylidene-pentyl]-[bis(azanyl)methylidene]azanium Openeye Name: [(4S)-4-benzamido-5-ethoxy-5-oxo-pentyl]-(diaminomethylene)ammonium CAS Name: [(4S)-4-benzamido-5-ethoxy-5-oxopentyl]-(diaminomethylidene)ammonium IUPAC Name: [(4S)-4-benzamido-5-ethoxy-5-oxopentyl]-(diaminomethylidene)azanium Traditional Name: [(4S)-4-benzamido-5-ethoxy-5-keto-pentyl]-(diaminomethylene)ammonium Formula: C15H23N4O3+ MolecularWeight: 307.36812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N4O3/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)/p+1/t12-/m0/s1