1,1-bis[3-(1,5,9-triazacyclododec-1-yl)propyl]-5,9-diaza-1-azoniacyclododecane bromide

Systemtic Name: 1,1-bis[3-(1,5,9-triazacyclododec-1-yl)propyl]-5,9-diaza-1-azoniacyclododecane bromide Openeye Name: 1,1-bis[3-(1,5,9-triazacyclododec-1-yl)propyl]-5,9-diaza-1-azoniacyclododecane bromide CAS Name: 1,1-bis[3-(1,5,9-triazacyclododec-1-yl)propyl]-5,9-diaza-1-azoniacyclododecane bromide IUPAC Name: 1,1-bis[3-(1,5,9-triazacyclododec-1-yl)propyl]-5,9-diaza-1-azoniacyclododecane bromide Traditional Name: 1,1-bis[3-(1,5,9-triazacyclododec-1-yl)propyl]-5,9-diaza-1-azoniacyclododecane bromide Formula: C33H72BrN9 MolecularWeight: 674.88908

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCCN(CCCNC1)CCC[N+]2(CCCNCCCNCCC2)CCCN3CCCNCCCNCCC3.[Br-]

Isomeric SMILES

C1CNCCCN(CCCNC1)CCC[N+]2(CCCNCCCNCCC2)CCCN3CCCNCCCNCCC3.[Br-]

InChI

InChI=1S/C33H72N9.BrH/c1-12-34-18-4-24-40(25-5-19-35-13-1)28-10-32-42(30-8-22-38-16-3-17-39-23-9-31-42)33-11-29-41-26-6-20-36-14-2-15-37-21-7-27-41;/h34-39H,1-33H2;1H/q+1;/p-1