3-methoxypropyl-[(1R)-1-(4-methyl-3-nitro-phenyl)ethyl]azanium

Systemtic Name: 3-methoxypropyl-[(1R)-1-(4-methyl-3-nitro-phenyl)ethyl]azanium Openeye Name: 3-methoxypropyl-[(1R)-1-(4-methyl-3-nitro-phenyl)ethyl]ammonium CAS Name: 3-methoxypropyl-[(1R)-1-(4-methyl-3-nitrophenyl)ethyl]ammonium IUPAC Name: 3-methoxypropyl-[(1R)-1-(4-methyl-3-nitrophenyl)ethyl]azanium Traditional Name: 3-methoxypropyl-[(1R)-1-(4-methyl-3-nitro-phenyl)ethyl]ammonium Formula: C13H21N2O3+ MolecularWeight: 253.31744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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