2,3,5,6-tetrakis[4-(3-methylheptoxy)pyridin-1-ium-1-yl]pyrazine

Systemtic Name: 2,3,5,6-tetrakis[4-(3-methylheptoxy)pyridin-1-ium-1-yl]pyrazine Openeye Name: 2,3,5,6-tetrakis[4-(3-methylheptoxy)pyridin-1-ium-1-yl]pyrazine CAS Name: 2,3,5,6-tetrakis[4-(3-methylheptoxy)-1-pyridin-1-iumyl]pyrazine IUPAC Name: 2,3,5,6-tetrakis[4-(3-methylheptoxy)pyridin-1-ium-1-yl]pyrazine Traditional Name: 2,3,5,6-tetrakis[4-(3-methylheptoxy)pyridin-1-ium-1-yl]pyrazine Formula: C56H84N6O4+4 MolecularWeight: 905.30396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)CCOC1=CC=[N+](C=C1)C2=C(N=C(C(=N2)[N+]3=CC=C(C=C3)OCCC(C)CCCC)[N+]4=CC=C(C=C4)OCCC(C)CCCC)[N+]5=CC=C(C=C5)OCCC(C)CCCC

Isomeric SMILES

CCCCC(C)CCOC1=CC=[N+](C=C1)C2=C(N=C(C(=N2)[N+]3=CC=C(C=C3)OCCC(C)CCCC)[N+]4=CC=C(C=C4)OCCC(C)CCCC)[N+]5=CC=C(C=C5)OCCC(C)CCCC

InChI

InChI=1S/C56H84N6O4/c1-9-13-17-45(5)29-41-63-49-21-33-59(34-22-49)53-54(60-35-23-50(24-36-60)64-42-30-46(6)18-14-10-2)58-56(62-39-27-52(28-40-62)66-44-32-48(8)20-16-12-4)55(57-53)61-37-25-51(26-38-61)65-43-31-47(7)19-15-11-3/h21-28,33-40,45-48H,9-20,29-32,41-44H2,1-8H3/q+4