2-[[(2R)-2-(dimethylazaniumyl)-3-phenyl-propyl]iminomethyl]-4-nitro-phenolate

Systemtic Name: 2-[[(2R)-2-(dimethylazaniumyl)-3-phenyl-propyl]iminomethyl]-4-nitro-phenolate Openeye Name: 2-[[(2R)-2-(dimethylammonio)-3-phenyl-propyl]iminomethyl]-4-nitro-phenolate CAS Name: 2-[[(2R)-2-(dimethylammonio)-3-phenylpropyl]iminomethyl]-4-nitrophenolate IUPAC Name: 2-[[(2R)-2-(dimethylazaniumyl)-3-phenylpropyl]iminomethyl]-4-nitrophenolate Traditional Name: 2-[[(2R)-2-(dimethylammonio)-3-phenyl-propyl]iminomethyl]-4-nitro-phenolate Formula: C18H21N3O3 MolecularWeight: 327.37764

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CC1=CC=CC=C1)CN=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

C[NH+](C)[C@H](CC1=CC=CC=C1)CN=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C18H21N3O3/c1-20(2)17(10-14-6-4-3-5-7-14)13-19-12-15-11-16(21(23)24)8-9-18(15)22/h3-9,11-12,17,22H,10,13H2,1-2H3/t17-/m1/s1