[5-[[azanyl(phenylmethoxycarbonylamino)methylidene]amino]-1-oxidanyl-1-oxidanylidene-pentan-2-yl]azanium chloride

Systemtic Name: [5-[[azanyl(phenylmethoxycarbonylamino)methylidene]amino]-1-oxidanyl-1-oxidanylidene-pentan-2-yl]azanium chloride Openeye Name: [4-[[amino(benzyloxycarbonylamino)methylene]amino]-1-hydroxycarbonyl-butyl]ammonium chloride CAS Name: [5-[[amino(phenylmethoxycarbonylamino)methylidene]amino]-1-hydroxy-1-oxopentan-2-yl]ammonium chloride IUPAC Name: [5-[[amino(phenylmethoxycarbonylamino)methylidene]amino]-1-hydroxy-1-oxopentan-2-yl]azanium chloride Traditional Name: [4-[[amino(benzyloxycarbonylamino)methylene]amino]-1-hydroxycarbonyl-butyl]ammonium chloride Formula: C14H21ClN4O4 MolecularWeight: 345.786595

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(=NCCCC(C(=O)O)[NH3+])N.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(=NCCCC([13C](=O)O)[NH3+])N.[Cl-]

InChI

InChI=1S/C14H20N4O4.ClH/c15-11(12(19)20)7-4-8-17-13(16)18-14(21)22-9-10-5-2-1-3-6-10;/h1-3,5-6,11H,4,7-9,15H2,(H,19,20)(H3,16,17,18,21);1H/i12+1;