4-pyridin-4-yl-1-[[2,4,6-triethyl-3,5-bis[(4-pyridin-4-ylpyridin-1-ium-1-yl)methyl]phenyl]methyl]pyridin-1-ium

Systemtic Name: 4-pyridin-4-yl-1-[[2,4,6-triethyl-3,5-bis[(4-pyridin-4-ylpyridin-1-ium-1-yl)methyl]phenyl]methyl]pyridin-1-ium Openeye Name: 4-(4-pyridyl)-1-[[2,4,6-triethyl-3,5-bis[[4-(4-pyridyl)pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium CAS Name: 4-pyridin-4-yl-1-[[2,4,6-triethyl-3,5-bis[(4-pyridin-4-yl-1-pyridin-1-iumyl)methyl]phenyl]methyl]pyridin-1-ium IUPAC Name: 4-pyridin-4-yl-1-[[2,4,6-triethyl-3,5-bis[(4-pyridin-4-ylpyridin-1-ium-1-yl)methyl]phenyl]methyl]pyridin-1-ium Traditional Name: 4-(4-pyridyl)-1-[2,4,6-triethyl-3,5-bis[[4-(4-pyridyl)pyridin-1-ium-1-yl]methyl]benzyl]pyridin-1-ium Formula: C45H45N6+3 MolecularWeight: 669.879

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C(=C1C[N+]2=CC=C(C=C2)C3=CC=NC=C3)CC)C[N+]4=CC=C(C=C4)C5=CC=NC=C5)CC)C[N+]6=CC=C(C=C6)C7=CC=NC=C7

Isomeric SMILES

CCC1=C(C(=C(C(=C1C[N+]2=CC=C(C=C2)C3=CC=NC=C3)CC)C[N+]4=CC=C(C=C4)C5=CC=NC=C5)CC)C[N+]6=CC=C(C=C6)C7=CC=NC=C7

InChI

InChI=1S/C45H45N6/c1-4-40-43(31-49-25-13-37(14-26-49)34-7-19-46-20-8-34)41(5-2)45(33-51-29-17-39(18-30-51)36-11-23-48-24-12-36)42(6-3)44(40)32-50-27-15-38(16-28-50)35-9-21-47-22-10-35/h7-30H,4-6,31-33H2,1-3H3/q+3