2,3,4,5,6-pentakis(4-pyrrolidin-1-ylpyridin-1-ium-1-yl)pyridine

Systemtic Name: 2,3,4,5,6-pentakis(4-pyrrolidin-1-ylpyridin-1-ium-1-yl)pyridine Openeye Name: 2,3,4,5,6-pentakis(4-pyrrolidin-1-ylpyridin-1-ium-1-yl)pyridine CAS Name: 2,3,4,5,6-pentakis[4-(1-pyrrolidinyl)-1-pyridin-1-iumyl]pyridine IUPAC Name: 2,3,4,5,6-pentakis(4-pyrrolidin-1-ylpyridin-1-ium-1-yl)pyridine Traditional Name: 2,3,4,5,6-pentakis(4-pyrrolidinopyridin-1-ium-1-yl)pyridine Formula: C50H60N11+5 MolecularWeight: 815.0851

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=[N+](C=C2)C3=C(C(=NC(=C3[N+]4=CC=C(C=C4)N5CCCC5)[N+]6=CC=C(C=C6)N7CCCC7)[N+]8=CC=C(C=C8)N9CCCC9)[N+]1=CC=C(C=C1)N1CCCC1

Isomeric SMILES

C1CCN(C1)C2=CC=[N+](C=C2)C3=C(C(=NC(=C3[N+]4=CC=C(C=C4)N5CCCC5)[N+]6=CC=C(C=C6)N7CCCC7)[N+]8=CC=C(C=C8)N9CCCC9)[N+]1=CC=C(C=C1)N1CCCC1

InChI

InChI=1S/C50H60N11/c1-2-22-52(21-1)41-11-31-57(32-12-41)46-47(58-33-13-42(14-34-58)53-23-3-4-24-53)49(60-37-17-44(18-38-60)55-27-7-8-28-55)51-50(61-39-19-45(20-40-61)56-29-9-10-30-56)48(46)59-35-15-43(16-36-59)54-25-5-6-26-54/h11-20,31-40H,1-10,21-30H2/q+5