[(1R)-1-(4-methyl-3-nitro-phenyl)ethyl]-[3-(2-methylpropoxy)propyl]azanium

Systemtic Name: [(1R)-1-(4-methyl-3-nitro-phenyl)ethyl]-[3-(2-methylpropoxy)propyl]azanium Openeye Name: 3-isobutoxypropyl-[(1R)-1-(4-methyl-3-nitro-phenyl)ethyl]ammonium CAS Name: [(1R)-1-(4-methyl-3-nitrophenyl)ethyl]-[3-(2-methylpropoxy)propyl]ammonium IUPAC Name: [(1R)-1-(4-methyl-3-nitrophenyl)ethyl]-[3-(2-methylpropoxy)propyl]azanium Traditional Name: 3-isobutoxypropyl-[(1R)-1-(4-methyl-3-nitro-phenyl)ethyl]ammonium Formula: C16H27N2O3+ MolecularWeight: 295.39718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)[NH2+]CCCOCC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)[C@@H](C)[NH2+]CCCOCC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C16H26N2O3/c1-12(2)11-21-9-5-8-17-14(4)15-7-6-13(3)16(10-15)18(19)20/h6-7,10,12,14,17H,5,8-9,11H2,1-4H3/p+1/t14-/m1/s1