[(1R)-1-(4-methyl-3-nitro-phenyl)ethyl]-[(1S)-1-pyridin-4-ylethyl]azanium

Systemtic Name: [(1R)-1-(4-methyl-3-nitro-phenyl)ethyl]-[(1S)-1-pyridin-4-ylethyl]azanium Openeye Name: [(1R)-1-(4-methyl-3-nitro-phenyl)ethyl]-[(1S)-1-(4-pyridyl)ethyl]ammonium CAS Name: [(1R)-1-(4-methyl-3-nitrophenyl)ethyl]-[(1S)-1-pyridin-4-ylethyl]ammonium IUPAC Name: [(1R)-1-(4-methyl-3-nitrophenyl)ethyl]-[(1S)-1-pyridin-4-ylethyl]azanium Traditional Name: [(1R)-1-(4-methyl-3-nitro-phenyl)ethyl]-[(1S)-1-(4-pyridyl)ethyl]ammonium Formula: C16H20N3O2+ MolecularWeight: 286.3489

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C)[NH2+]C(C)C2=CC=NC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)[C@@H](C)[NH2+][C@@H](C)C2=CC=NC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O2/c1-11-4-5-15(10-16(11)19(20)21)13(3)18-12(2)14-6-8-17-9-7-14/h4-10,12-13,18H,1-3H3/p+1/t12-,13+/m0/s1