5-[2-[5,9-bis(2-phenanthridin-5-ium-5-ylethyl)-1,5,9-triazacyclododec-1-yl]ethyl]phenanthridin-5-ium

Systemtic Name: 5-[2-[5,9-bis(2-phenanthridin-5-ium-5-ylethyl)-1,5,9-triazacyclododec-1-yl]ethyl]phenanthridin-5-ium Openeye Name: 5-[2-[5,9-bis(2-phenanthridin-5-ium-5-ylethyl)-1,5,9-triazacyclododec-1-yl]ethyl]phenanthridin-5-ium CAS Name: 5-[2-[5,9-bis[2-(5-phenanthridin-5-iumyl)ethyl]-1,5,9-triazacyclododec-1-yl]ethyl]phenanthridin-5-ium IUPAC Name: 5-[2-[5,9-bis(2-phenanthridin-5-ium-5-ylethyl)-1,5,9-triazacyclododec-1-yl]ethyl]phenanthridin-5-ium Traditional Name: 5-[2-[5,9-bis(2-phenanthridin-5-ium-5-ylethyl)-1,5,9-triazacyclododec-1-yl]ethyl]phenanthridin-5-ium Formula: C54H57N6+3 MolecularWeight: 790.07058

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCCN(CCCN(C1)CC[N+]2=CC3=CC=CC=C3C4=CC=CC=C42)CC[N+]5=CC6=CC=CC=C6C7=CC=CC=C75)CC[N+]8=CC9=CC=CC=C9C1=CC=CC=C18

Isomeric SMILES

C1CN(CCCN(CCCN(C1)CC[N+]2=CC3=CC=CC=C3C4=CC=CC=C42)CC[N+]5=CC6=CC=CC=C6C7=CC=CC=C75)CC[N+]8=CC9=CC=CC=C9C1=CC=CC=C18

InChI

InChI=1S/C54H57N6/c1-4-19-46-43(16-1)40-58(52-25-10-7-22-49(46)52)37-34-55-28-13-30-56(35-38-59-41-44-17-2-5-20-47(44)50-23-8-11-26-53(50)59)32-15-33-57(31-14-29-55)36-39-60-42-45-18-3-6-21-48(45)51-24-9-12-27-54(51)60/h1-12,16-27,40-42H,13-15,28-39H2/q+3