1,1,3,3-tetrakis[2-(4-phenylpyridin-1-ium-1-yl)ethyl]urea

Systemtic Name: 1,1,3,3-tetrakis[2-(4-phenylpyridin-1-ium-1-yl)ethyl]urea Openeye Name: 1,1,3,3-tetrakis[2-(4-phenylpyridin-1-ium-1-yl)ethyl]urea CAS Name: 1,1,3,3-tetrakis[2-(4-phenyl-1-pyridin-1-iumyl)ethyl]urea IUPAC Name: 1,1,3,3-tetrakis[2-(4-phenylpyridin-1-ium-1-yl)ethyl]urea Traditional Name: 1,1,3,3-tetrakis[2-(4-phenylpyridin-1-ium-1-yl)ethyl]urea Formula: C53H52N6O+4 MolecularWeight: 789.01958

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=[N+](C=C2)CCN(CC[N+]3=CC=C(C=C3)C4=CC=CC=C4)C(=O)N(CC[N+]5=CC=C(C=C5)C6=CC=CC=C6)CC[N+]7=CC=C(C=C7)C8=CC=CC=C8

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=[N+](C=C2)CCN(CC[N+]3=CC=C(C=C3)C4=CC=CC=C4)C(=O)N(CC[N+]5=CC=C(C=C5)C6=CC=CC=C6)CC[N+]7=CC=C(C=C7)C8=CC=CC=C8

InChI

InChI=1S/C53H52N6O/c60-53(58(41-37-54-29-21-49(22-30-54)45-13-5-1-6-14-45)42-38-55-31-23-50(24-32-55)46-15-7-2-8-16-46)59(43-39-56-33-25-51(26-34-56)47-17-9-3-10-18-47)44-40-57-35-27-52(28-36-57)48-19-11-4-12-20-48/h1-36H,37-44H2/q+4