4-chloranyl-2-nitro-6-[[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]iminomethyl]phenolate

Systemtic Name: 4-chloranyl-2-nitro-6-[[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]iminomethyl]phenolate Openeye Name: 4-chloro-2-nitro-6-[[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]iminomethyl]phenolate CAS Name: 4-chloro-2-nitro-6-[[(2S)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]iminomethyl]phenolate IUPAC Name: 4-chloro-2-nitro-6-[[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]iminomethyl]phenolate Traditional Name: 4-chloro-2-nitro-6-[[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]iminomethyl]phenolate Formula: C17H18ClN3O3S MolecularWeight: 379.86112

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CN=CC2=CC(=CC(=C2[O-])[N+](=O)[O-])Cl)C3=CC=CS3

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CN=CC2=CC(=CC(=C2[O-])[N+](=O)[O-])Cl)C3=CC=CS3

InChI

InChI=1S/C17H18ClN3O3S/c18-13-8-12(17(22)14(9-13)21(23)24)10-19-11-15(16-4-3-7-25-16)20-5-1-2-6-20/h3-4,7-10,15,22H,1-2,5-6,11H2/t15-/m0/s1