N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-9H-xanthene-9-carboxamide

Systemtic Name: N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-9H-xanthene-9-carboxamide Openeye Name: N-[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-9H-xanthene-9-carboxamide CAS Name: N-[(2R)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-9H-xanthene-9-carboxamide IUPAC Name: N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-9H-xanthene-9-carboxamide Traditional Name: N-[(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-9H-xanthene-9-carboxamide Formula: C25H27N2O3+ MolecularWeight: 403.49348

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CNC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)C5=CC=CO5

Isomeric SMILES

C1CC[NH+](CC1)[C@H](CNC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)C5=CC=CO5

InChI

InChI=1S/C25H26N2O3/c28-25(26-17-20(23-13-8-16-29-23)27-14-6-1-7-15-27)24-18-9-2-4-11-21(18)30-22-12-5-3-10-19(22)24/h2-5,8-13,16,20,24H,1,6-7,14-15,17H2,(H,26,28)/p+1/t20-/m1/s1