[(1S)-1-(3-nitrophenyl)butyl]-(3-propan-2-yloxypropyl)azanium

Systemtic Name: [(1S)-1-(3-nitrophenyl)butyl]-(3-propan-2-yloxypropyl)azanium Openeye Name: 3-isopropoxypropyl-[(1S)-1-(3-nitrophenyl)butyl]ammonium CAS Name: [(1S)-1-(3-nitrophenyl)butyl]-(3-propan-2-yloxypropyl)ammonium IUPAC Name: [(1S)-1-(3-nitrophenyl)butyl]-(3-propan-2-yloxypropyl)azanium Traditional Name: 3-isopropoxypropyl-[(1S)-1-(3-nitrophenyl)butyl]ammonium Formula: C16H27N2O3+ MolecularWeight: 295.39718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O3/c1-4-7-16(17-10-6-11-21-13(2)3)14-8-5-9-15(12-14)18(19)20/h5,8-9,12-13,16-17H,4,6-7,10-11H2,1-3H3/p+1/t16-/m0/s1