4-chloranyl-2-[[(2R)-2-(dimethylazaniumyl)-2-thiophen-2-yl-ethyl]iminomethyl]-6-nitro-phenolate

Systemtic Name: 4-chloranyl-2-[[(2R)-2-(dimethylazaniumyl)-2-thiophen-2-yl-ethyl]iminomethyl]-6-nitro-phenolate Openeye Name: 4-chloro-2-[[(2R)-2-(dimethylammonio)-2-(2-thienyl)ethyl]iminomethyl]-6-nitro-phenolate CAS Name: 4-chloro-2-[[(2R)-2-(dimethylammonio)-2-thiophen-2-ylethyl]iminomethyl]-6-nitrophenolate IUPAC Name: 4-chloro-2-[[(2R)-2-(dimethylazaniumyl)-2-thiophen-2-ylethyl]iminomethyl]-6-nitrophenolate Traditional Name: 4-chloro-2-[[(2R)-2-(dimethylammonio)-2-(2-thienyl)ethyl]iminomethyl]-6-nitro-phenolate Formula: C15H16ClN3O3S MolecularWeight: 353.82384

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CN=CC1=CC(=CC(=C1[O-])[N+](=O)[O-])Cl)C2=CC=CS2

Isomeric SMILES

C[NH+](C)[C@H](CN=CC1=CC(=CC(=C1[O-])[N+](=O)[O-])Cl)C2=CC=CS2

InChI

InChI=1S/C15H16ClN3O3S/c1-18(2)13(14-4-3-5-23-14)9-17-8-10-6-11(16)7-12(15(10)20)19(21)22/h3-8,13,20H,9H2,1-2H3/t13-/m1/s1