N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-9H-xanthene-9-carboxamide

Systemtic Name: N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-9H-xanthene-9-carboxamide Openeye Name: N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-9H-xanthene-9-carboxamide CAS Name: N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]-9H-xanthene-9-carboxamide IUPAC Name: N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-9H-xanthene-9-carboxamide Traditional Name: N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]-9H-xanthene-9-carboxamide Formula: C26H27N2O2+ MolecularWeight: 399.50478

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

InChI

InChI=1S/C26H26N2O2/c29-26(27-17-19-9-1-2-10-20(19)18-28-15-7-8-16-28)25-21-11-3-5-13-23(21)30-24-14-6-4-12-22(24)25/h1-6,9-14,25H,7-8,15-18H2,(H,27,29)/p+1