[(1S)-1-(3-nitrophenyl)butyl]-(3-oxidanylpropyl)azanium

Systemtic Name: [(1S)-1-(3-nitrophenyl)butyl]-(3-oxidanylpropyl)azanium Openeye Name: 3-hydroxypropyl-[(1S)-1-(3-nitrophenyl)butyl]ammonium CAS Name: 3-hydroxypropyl-[(1S)-1-(3-nitrophenyl)butyl]ammonium IUPAC Name: 3-hydroxypropyl-[(1S)-1-(3-nitrophenyl)butyl]azanium Traditional Name: 3-hydroxypropyl-[(1S)-1-(3-nitrophenyl)butyl]ammonium Formula: C13H21N2O3+ MolecularWeight: 253.31744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O3/c1-2-5-13(14-8-4-9-16)11-6-3-7-12(10-11)15(17)18/h3,6-7,10,13-14,16H,2,4-5,8-9H2,1H3/p+1/t13-/m0/s1