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

Systemtic Name: 4-nitro-2-[[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]iminomethyl]phenolate Openeye Name: 4-nitro-2-[[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]iminomethyl]phenolate CAS Name: 4-nitro-2-[[(2S)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]iminomethyl]phenolate IUPAC Name: 4-nitro-2-[[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]iminomethyl]phenolate Traditional Name: 4-nitro-2-[[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]iminomethyl]phenolate Formula: C17H19N3O3S MolecularWeight: 345.41606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O3S/c21-16-6-5-14(20(22)23)10-13(16)11-18-12-15(17-4-3-9-24-17)19-7-1-2-8-19/h3-6,9-11,15,21H,1-2,7-8,12H2/t15-/m0/s1