N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-5-nitro-thiophene-2-carboxamide

Systemtic Name: N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-5-nitro-thiophene-2-carboxamide Openeye Name: N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-5-nitro-thiophene-2-carboxamide CAS Name: N-[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-5-nitro-2-thiophenecarboxamide IUPAC Name: N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-5-nitrothiophene-2-carboxamide Traditional Name: N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-5-nitro-thiophene-2-carboxamide Formula: C16H20N3O4S+ MolecularWeight: 350.4127

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CNC(=O)C2=CC=C(S2)[N+](=O)[O-])C3=CC=CO3

Isomeric SMILES

C1CC[NH+](CC1)[C@@H](CNC(=O)C2=CC=C(S2)[N+](=O)[O-])C3=CC=CO3

InChI

InChI=1S/C16H19N3O4S/c20-16(14-6-7-15(24-14)19(21)22)17-11-12(13-5-4-10-23-13)18-8-2-1-3-9-18/h4-7,10,12H,1-3,8-9,11H2,(H,17,20)/p+1/t12-/m0/s1