N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]-9H-xanthene-9-carboxamide

Systemtic Name: N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]-9H-xanthene-9-carboxamide Openeye Name: N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]-9H-xanthene-9-carboxamide CAS Name: N-[[2-(1-pyrrolidinyl)-4-pyridin-1-iumyl]methyl]-9H-xanthene-9-carboxamide IUPAC Name: N-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]-9H-xanthene-9-carboxamide Traditional Name: N-[(2-pyrrolidinopyridin-1-ium-4-yl)methyl]-9H-xanthene-9-carboxamide Formula: C24H24N3O2+ MolecularWeight: 386.46626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=[NH+]C=CC(=C2)CNC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

Isomeric SMILES

C1CCN(C1)C2=[NH+]C=CC(=C2)CNC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

InChI

InChI=1S/C24H23N3O2/c28-24(26-16-17-11-12-25-22(15-17)27-13-5-6-14-27)23-18-7-1-3-9-20(18)29-21-10-4-2-8-19(21)23/h1-4,7-12,15,23H,5-6,13-14,16H2,(H,26,28)/p+1