7-[[4-(3,7,11-triazabicyclo[11.3.1]heptadeca-1(17),13,15-trien-7-ylmethyl)phenyl]methyl]-3,7,11-triazabicyclo[11.3.1]heptadeca-1(17),13,15-triene bromide

Systemtic Name: 7-[[4-(3,7,11-triazabicyclo[11.3.1]heptadeca-1(17),13,15-trien-7-ylmethyl)phenyl]methyl]-3,7,11-triazabicyclo[11.3.1]heptadeca-1(17),13,15-triene bromide Openeye Name: 7-[[4-(3,7,11-triazabicyclo[11.3.1]heptadeca-1(17),13,15-trien-7-ylmethyl)phenyl]methyl]-3,7,11-triazabicyclo[11.3.1]heptadeca-1(17),13,15-triene bromide CAS Name: 7-[[4-(3,7,11-triazabicyclo[11.3.1]heptadeca-1(17),13,15-trien-7-ylmethyl)phenyl]methyl]-3,7,11-triazabicyclo[11.3.1]heptadeca-1(17),13,15-triene bromide IUPAC Name: 7-[[4-(3,7,11-triazabicyclo[11.3.1]heptadeca-1(17),13,15-trien-7-ylmethyl)phenyl]methyl]-3,7,11-triazabicyclo[11.3.1]heptadeca-1(17),13,15-triene bromide Traditional Name: 7-[4-(3,7,11-triazabicyclo[11.3.1]heptadeca-1(17),13,15-trien-7-ylmethyl)benzyl]-3,7,11-triazabicyclo[11.3.1]heptadeca-1(17),13,15-triene bromide Formula: C36H52BrN6- MolecularWeight: 648.74228

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC2=CC(=CC=C2)CNCCCN(C1)CC3=CC=C(C=C3)CN4CCCNCC5=CC(=CC=C5)CNCCC4.[Br-]

Isomeric SMILES

C1CNCC2=CC(=CC=C2)CNCCCN(C1)CC3=CC=C(C=C3)CN4CCCNCC5=CC(=CC=C5)CNCCC4.[Br-]

InChI

InChI=1S/C36H52N6.BrH/c1-7-33-23-34(8-1)26-38-16-4-20-41(19-3-15-37-25-33)29-31-11-13-32(14-12-31)30-42-21-5-17-39-27-35-9-2-10-36(24-35)28-40-18-6-22-42;/h1-2,7-14,23-24,37-40H,3-6,15-22,25-30H2;1H/p-1