7-[[4-[(15-oxidanylidene-3,7,11,17-tetrazabicyclo[11.3.1]heptadeca-1(16),13-dien-7-yl)methyl]phenyl]methyl]-3,7,11,17-tetrazabicyclo[11.3.1]heptadeca-1(16),13-dien-15-one bromide

Systemtic Name: 7-[[4-[(15-oxidanylidene-3,7,11,17-tetrazabicyclo[11.3.1]heptadeca-1(16),13-dien-7-yl)methyl]phenyl]methyl]-3,7,11,17-tetrazabicyclo[11.3.1]heptadeca-1(16),13-dien-15-one bromide Openeye Name: 7-[[4-[(15-oxo-3,7,11,17-tetrazabicyclo[11.3.1]heptadeca-1(16),13-dien-7-yl)methyl]phenyl]methyl]-3,7,11,17-tetrazabicyclo[11.3.1]heptadeca-1(16),13-dien-15-one bromide CAS Name: 7-[[4-[(15-oxo-3,7,11,17-tetrazabicyclo[11.3.1]heptadeca-1(16),13-dien-7-yl)methyl]phenyl]methyl]-3,7,11,17-tetrazabicyclo[11.3.1]heptadeca-1(16),13-dien-15-one bromide IUPAC Name: 7-[[4-[(15-oxo-3,7,11,17-tetrazabicyclo[11.3.1]heptadeca-1(16),13-dien-7-yl)methyl]phenyl]methyl]-3,7,11,17-tetrazabicyclo[11.3.1]heptadeca-1(16),13-dien-15-one bromide Traditional Name: 7-[4-[(15-keto-3,7,11,17-tetrazabicyclo[11.3.1]heptadeca-1(16),13-dien-7-yl)methyl]benzyl]-3,7,11,17-tetrazabicyclo[11.3.1]heptadeca-1(16),13-dien-15-one bromide Formula: C34H50BrN8O2- MolecularWeight: 682.7172

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC2=CC(=O)C=C(N2)CNCCCN(C1)CC3=CC=C(C=C3)CN4CCCNCC5=CC(=O)C=C(N5)CNCCC4.[Br-]

Isomeric SMILES

C1CNCC2=CC(=O)C=C(N2)CNCCCN(C1)CC3=CC=C(C=C3)CN4CCCNCC5=CC(=O)C=C(N5)CNCCC4.[Br-]

InChI

InChI=1S/C34H50N8O2.BrH/c43-33-17-29-21-35-9-1-13-41(14-2-10-36-22-30(18-33)39-29)25-27-5-7-28(8-6-27)26-42-15-3-11-37-23-31-19-34(44)20-32(40-31)24-38-12-4-16-42;/h5-8,17-20,35-38H,1-4,9-16,21-26H2,(H,39,43)(H,40,44);1H/p-1