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

Systemtic Name: 2-[[(2R)-2-(dimethylazaniumyl)-2-thiophen-2-yl-ethyl]iminomethyl]-4-nitro-phenolate Openeye Name: 2-[[(2R)-2-(dimethylammonio)-2-(2-thienyl)ethyl]iminomethyl]-4-nitro-phenolate CAS Name: 2-[[(2R)-2-(dimethylammonio)-2-thiophen-2-ylethyl]iminomethyl]-4-nitrophenolate IUPAC Name: 2-[[(2R)-2-(dimethylazaniumyl)-2-thiophen-2-ylethyl]iminomethyl]-4-nitrophenolate Traditional Name: 2-[[(2R)-2-(dimethylammonio)-2-(2-thienyl)ethyl]iminomethyl]-4-nitro-phenolate Formula: C15H17N3O3S MolecularWeight: 319.37878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O3S/c1-17(2)13(15-4-3-7-22-15)10-16-9-11-8-12(18(20)21)5-6-14(11)19/h3-9,13,19H,10H2,1-2H3/t13-/m1/s1