1-[[3,5-bis[(4-pyrrolidin-1-ylpyridin-1-ium-1-yl)methyl]phenyl]methyl]-4-pyrrolidin-1-yl-pyridin-1-ium tribromide

Systemtic Name: 1-[[3,5-bis[(4-pyrrolidin-1-ylpyridin-1-ium-1-yl)methyl]phenyl]methyl]-4-pyrrolidin-1-yl-pyridin-1-ium tribromide Openeye Name: 1-[[3,5-bis[(4-pyrrolidin-1-ylpyridin-1-ium-1-yl)methyl]phenyl]methyl]-4-pyrrolidin-1-yl-pyridin-1-ium tribromide CAS Name: 1-[[3,5-bis[[4-(1-pyrrolidinyl)-1-pyridin-1-iumyl]methyl]phenyl]methyl]-4-(1-pyrrolidinyl)pyridin-1-ium tribromide IUPAC Name: 1-[[3,5-bis[(4-pyrrolidin-1-ylpyridin-1-ium-1-yl)methyl]phenyl]methyl]-4-pyrrolidin-1-ylpyridin-1-ium tribromide Traditional Name: 1-[3,5-bis[(4-pyrrolidinopyridin-1-ium-1-yl)methyl]benzyl]-4-pyrrolidino-pyridin-1-ium tribromide Formula: C36H45Br3N6 MolecularWeight: 801.4947

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=[N+](C=C2)CC3=CC(=CC(=C3)C[N+]4=CC=C(C=C4)N5CCCC5)C[N+]6=CC=C(C=C6)N7CCCC7.[Br-].[Br-].[Br-]

Isomeric SMILES

C1CCN(C1)C2=CC=[N+](C=C2)CC3=CC(=CC(=C3)C[N+]4=CC=C(C=C4)N5CCCC5)C[N+]6=CC=C(C=C6)N7CCCC7.[Br-].[Br-].[Br-]

InChI

InChI=1S/C36H45N6.3BrH/c1-2-14-40(13-1)34-7-19-37(20-8-34)28-31-25-32(29-38-21-9-35(10-22-38)41-15-3-4-16-41)27-33(26-31)30-39-23-11-36(12-24-39)42-17-5-6-18-42;;;/h7-12,19-27H,1-6,13-18,28-30H2;3*1H/q+3;;;/p-3