N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-9H-xanthene-9-carboxamide

Systemtic Name: N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-9H-xanthene-9-carboxamide Openeye Name: N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-9H-xanthene-9-carboxamide CAS Name: N-[[2-(4-morpholin-4-iumylmethyl)phenyl]methyl]-9H-xanthene-9-carboxamide IUPAC Name: N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]-9H-xanthene-9-carboxamide Traditional Name: N-[2-(morpholin-4-ium-4-ylmethyl)benzyl]-9H-xanthene-9-carboxamide Formula: C26H27N2O3+ MolecularWeight: 415.50418

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=CC=C2CNC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

Isomeric SMILES

C1COCC[NH+]1CC2=CC=CC=C2CNC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

InChI

InChI=1S/C26H26N2O3/c29-26(25-21-9-3-5-11-23(21)31-24-12-6-4-10-22(24)25)27-17-19-7-1-2-8-20(19)18-28-13-15-30-16-14-28/h1-12,25H,13-18H2,(H,27,29)/p+1