(2-methoxy-2-oxidanylidene-ethyl)-[(1S)-1-(3-nitrophenyl)butyl]azanium

Systemtic Name: (2-methoxy-2-oxidanylidene-ethyl)-[(1S)-1-(3-nitrophenyl)butyl]azanium Openeye Name: (2-methoxy-2-oxo-ethyl)-[(1S)-1-(3-nitrophenyl)butyl]ammonium CAS Name: (2-methoxy-2-oxoethyl)-[(1S)-1-(3-nitrophenyl)butyl]ammonium IUPAC Name: (2-methoxy-2-oxoethyl)-[(1S)-1-(3-nitrophenyl)butyl]azanium Traditional Name: (2-keto-2-methoxy-ethyl)-[(1S)-1-(3-nitrophenyl)butyl]ammonium Formula: C13H19N2O4+ MolecularWeight: 267.30096

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC(=CC=C1)[N+](=O)[O-])[NH2+]CC(=O)OC

Isomeric SMILES

CCC[C@@H](C1=CC(=CC=C1)[N+](=O)[O-])[NH2+]CC(=O)OC

InChI

InChI=1S/C13H18N2O4/c1-3-5-12(14-9-13(16)19-2)10-6-4-7-11(8-10)15(17)18/h4,6-8,12,14H,3,5,9H2,1-2H3/p+1/t12-/m0/s1