[(1S)-1-(3-nitrophenyl)butyl]-[(2R)-1-oxidanylbutan-2-yl]azanium

Systemtic Name: [(1S)-1-(3-nitrophenyl)butyl]-[(2R)-1-oxidanylbutan-2-yl]azanium Openeye Name: [(1R)-1-(hydroxymethyl)propyl]-[(1S)-1-(3-nitrophenyl)butyl]ammonium CAS Name: [(2R)-1-hydroxybutan-2-yl]-[(1S)-1-(3-nitrophenyl)butyl]ammonium IUPAC Name: [(2R)-1-hydroxybutan-2-yl]-[(1S)-1-(3-nitrophenyl)butyl]azanium Traditional Name: [(1R)-1-methylolpropyl]-[(1S)-1-(3-nitrophenyl)butyl]ammonium Formula: C14H23N2O3+ MolecularWeight: 267.34402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N2O3/c1-3-6-14(15-12(4-2)10-17)11-7-5-8-13(9-11)16(18)19/h5,7-9,12,14-15,17H,3-4,6,10H2,1-2H3/p+1/t12-,14+/m1/s1