4-(4-chloranyl-2-nitro-phenoxy)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-3-methoxy-benzamide

Systemtic Name: 4-(4-chloranyl-2-nitro-phenoxy)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-3-methoxy-benzamide Openeye Name: 4-(4-chloro-2-nitro-phenoxy)-N-[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-3-methoxy-benzamide CAS Name: 4-(4-chloro-2-nitrophenoxy)-N-[(2R)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-3-methoxybenzamide IUPAC Name: 4-(4-chloro-2-nitrophenoxy)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-3-methoxybenzamide Traditional Name: 4-(4-chloro-2-nitro-phenoxy)-N-[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-3-methoxy-benzamide Formula: C25H27ClN3O6+ MolecularWeight: 500.95138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)NCC(C2=CC=CO2)[NH+]3CCCCC3)OC4=C(C=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)NC[C@H](C2=CC=CO2)[NH+]3CCCCC3)OC4=C(C=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C25H26ClN3O6/c1-33-24-14-17(7-9-23(24)35-22-10-8-18(26)15-19(22)29(31)32)25(30)27-16-20(21-6-5-13-34-21)28-11-3-2-4-12-28/h5-10,13-15,20H,2-4,11-12,16H2,1H3,(H,27,30)/p+1/t20-/m1/s1