N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-4-(phenylcarbonyl)benzamide

Systemtic Name: N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-4-(phenylcarbonyl)benzamide Openeye Name: 4-benzoyl-N-[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]benzamide CAS Name: 4-benzoyl-N-[(2R)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]benzamide IUPAC Name: 4-benzoyl-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]benzamide Traditional Name: 4-benzoyl-N-[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]benzamide Formula: C25H27N2O3+ MolecularWeight: 403.49348

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CNC(=O)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3)C4=CC=CO4

Isomeric SMILES

C1CC[NH+](CC1)[C@H](CNC(=O)C2=CC=C(C=C2)C(=O)C3=CC=CC=C3)C4=CC=CO4

InChI

InChI=1S/C25H26N2O3/c28-24(19-8-3-1-4-9-19)20-11-13-21(14-12-20)25(29)26-18-22(23-10-7-17-30-23)27-15-5-2-6-16-27/h1,3-4,7-14,17,22H,2,5-6,15-16,18H2,(H,26,29)/p+1/t22-/m1/s1