2-chloranyl-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-3,5-dinitro-benzamide

Systemtic Name: 2-chloranyl-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-3,5-dinitro-benzamide Openeye Name: 2-chloro-N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-3,5-dinitro-benzamide CAS Name: 2-chloro-N-[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-3,5-dinitrobenzamide IUPAC Name: 2-chloro-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-3,5-dinitrobenzamide Traditional Name: 2-chloro-N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-3,5-dinitro-benzamide Formula: C18H20ClN4O6+ MolecularWeight: 423.8276

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CNC(=O)C2=CC(=CC(=C2Cl)[N+](=O)[O-])[N+](=O)[O-])C3=CC=CO3

Isomeric SMILES

C1CC[NH+](CC1)[C@@H](CNC(=O)C2=CC(=CC(=C2Cl)[N+](=O)[O-])[N+](=O)[O-])C3=CC=CO3

InChI

InChI=1S/C18H19ClN4O6/c19-17-13(9-12(22(25)26)10-14(17)23(27)28)18(24)20-11-15(16-5-4-8-29-16)21-6-2-1-3-7-21/h4-5,8-10,15H,1-3,6-7,11H2,(H,20,24)/p+1/t15-/m0/s1