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

Systemtic Name: N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]-9H-xanthene-9-carboxamide Openeye Name: N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]-9H-xanthene-9-carboxamide CAS Name: N-[(2R)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]-9H-xanthene-9-carboxamide IUPAC Name: N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]-9H-xanthene-9-carboxamide Traditional Name: N-[(2R)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]-9H-xanthene-9-carboxamide Formula: C24H25N2O2S+ MolecularWeight: 405.5325

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)C5=CC=CS5

Isomeric SMILES

C1CC[NH+](C1)[C@H](CNC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24)C5=CC=CS5

InChI

InChI=1S/C24H24N2O2S/c27-24(25-16-19(22-12-7-15-29-22)26-13-5-6-14-26)23-17-8-1-3-10-20(17)28-21-11-4-2-9-18(21)23/h1-4,7-12,15,19,23H,5-6,13-14,16H2,(H,25,27)/p+1/t19-/m1/s1