[(2S)-butan-2-yl]-[3-(4-nitrophenoxy)propyl]azanium

Systemtic Name: [(2S)-butan-2-yl]-[3-(4-nitrophenoxy)propyl]azanium Openeye Name: [(1S)-1-methylpropyl]-[3-(4-nitrophenoxy)propyl]ammonium CAS Name: [(2S)-butan-2-yl]-[3-(4-nitrophenoxy)propyl]ammonium IUPAC Name: [(2S)-butan-2-yl]-[3-(4-nitrophenoxy)propyl]azanium Traditional Name: [(1S)-1-methylpropyl]-[3-(4-nitrophenoxy)propyl]ammonium Formula: C13H21N2O3+ MolecularWeight: 253.31744

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH2+]CCCOC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC[C@H](C)[NH2+]CCCOC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H20N2O3/c1-3-11(2)14-9-4-10-18-13-7-5-12(6-8-13)15(16)17/h5-8,11,14H,3-4,9-10H2,1-2H3/p+1/t11-/m0/s1