4-chloranyl-2-[[(2R)-2-(dimethylazaniumyl)-3-phenyl-propyl]iminomethyl]-6-nitro-phenolate

Systemtic Name: 4-chloranyl-2-[[(2R)-2-(dimethylazaniumyl)-3-phenyl-propyl]iminomethyl]-6-nitro-phenolate Openeye Name: 4-chloro-2-[[(2R)-2-(dimethylammonio)-3-phenyl-propyl]iminomethyl]-6-nitro-phenolate CAS Name: 4-chloro-2-[[(2R)-2-(dimethylammonio)-3-phenylpropyl]iminomethyl]-6-nitrophenolate IUPAC Name: 4-chloro-2-[[(2R)-2-(dimethylazaniumyl)-3-phenylpropyl]iminomethyl]-6-nitrophenolate Traditional Name: 4-chloro-2-[[(2R)-2-(dimethylammonio)-3-phenyl-propyl]iminomethyl]-6-nitro-phenolate Formula: C18H20ClN3O3 MolecularWeight: 361.8227

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN3O3/c1-21(2)16(8-13-6-4-3-5-7-13)12-20-11-14-9-15(19)10-17(18(14)23)22(24)25/h3-7,9-11,16,23H,8,12H2,1-2H3/t16-/m1/s1