[(2R)-butan-2-yl]-[2-(3-methyl-4-nitro-phenoxy)ethyl]azanium

Systemtic Name: [(2R)-butan-2-yl]-[2-(3-methyl-4-nitro-phenoxy)ethyl]azanium Openeye Name: 2-(3-methyl-4-nitro-phenoxy)ethyl-[(1R)-1-methylpropyl]ammonium CAS Name: [(2R)-butan-2-yl]-[2-(3-methyl-4-nitrophenoxy)ethyl]ammonium IUPAC Name: [(2R)-butan-2-yl]-[2-(3-methyl-4-nitrophenoxy)ethyl]azanium Traditional Name: 2-(3-methyl-4-nitro-phenoxy)ethyl-[(1R)-1-methylpropyl]ammonium Formula: C13H21N2O3+ MolecularWeight: 253.31744

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH2+]CCOC1=CC(=C(C=C1)[N+](=O)[O-])C

Isomeric SMILES

CC[C@@H](C)[NH2+]CCOC1=CC(=C(C=C1)[N+](=O)[O-])C

InChI

InChI=1S/C13H20N2O3/c1-4-11(3)14-7-8-18-12-5-6-13(15(16)17)10(2)9-12/h5-6,9,11,14H,4,7-8H2,1-3H3/p+1/t11-/m1/s1