2-cyanoethyl-(2-methylpropyl)-[(2S)-3-(3-nitrophenoxy)-2-oxidanyl-propyl]azanium

Systemtic Name: 2-cyanoethyl-(2-methylpropyl)-[(2S)-3-(3-nitrophenoxy)-2-oxidanyl-propyl]azanium Openeye Name: 2-cyanoethyl-[(2S)-2-hydroxy-3-(3-nitrophenoxy)propyl]-isobutyl-ammonium CAS Name: 2-cyanoethyl-[(2S)-2-hydroxy-3-(3-nitrophenoxy)propyl]-(2-methylpropyl)ammonium IUPAC Name: 2-cyanoethyl-[(2S)-2-hydroxy-3-(3-nitrophenoxy)propyl]-(2-methylpropyl)azanium Traditional Name: 2-cyanoethyl-[(2S)-2-hydroxy-3-(3-nitrophenoxy)propyl]-isobutyl-ammonium Formula: C16H24N3O4+ MolecularWeight: 322.37946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+](CCC#N)CC(COC1=CC=CC(=C1)[N+](=O)[O-])O

Isomeric SMILES

CC(C)C[NH+](CCC#N)C[C@@H](COC1=CC=CC(=C1)[N+](=O)[O-])O

InChI

InChI=1S/C16H23N3O4/c1-13(2)10-18(8-4-7-17)11-15(20)12-23-16-6-3-5-14(9-16)19(21)22/h3,5-6,9,13,15,20H,4,8,10-12H2,1-2H3/p+1/t15-/m0/s1