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

Systemtic Name: [(2R)-butan-2-yl]-[3-(3-methyl-4-nitro-phenoxy)propyl]azanium Openeye Name: 3-(3-methyl-4-nitro-phenoxy)propyl-[(1R)-1-methylpropyl]ammonium CAS Name: [(2R)-butan-2-yl]-[3-(3-methyl-4-nitrophenoxy)propyl]ammonium IUPAC Name: [(2R)-butan-2-yl]-[3-(3-methyl-4-nitrophenoxy)propyl]azanium Traditional Name: 3-(3-methyl-4-nitro-phenoxy)propyl-[(1R)-1-methylpropyl]ammonium Formula: C14H23N2O3+ MolecularWeight: 267.34402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N2O3/c1-4-12(3)15-8-5-9-19-13-6-7-14(16(17)18)11(2)10-13/h6-7,10,12,15H,4-5,8-9H2,1-3H3/p+1/t12-/m1/s1