7-butyl-7-decyl-15-methyl-1,13-diaza-7-azoniabicyclo[11.3.1]heptadec-15-ene-14,17-dione bromide

Systemtic Name: 7-butyl-7-decyl-15-methyl-1,13-diaza-7-azoniabicyclo[11.3.1]heptadec-15-ene-14,17-dione bromide Openeye Name: 7-butyl-7-decyl-15-methyl-1,13-diaza-7-azoniabicyclo[11.3.1]heptadec-15-ene-14,17-dione bromide CAS Name: 7-butyl-7-decyl-15-methyl-1,13-diaza-7-azoniabicyclo[11.3.1]heptadec-15-ene-14,17-dione bromide IUPAC Name: 7-butyl-7-decyl-15-methyl-1,13-diaza-7-azoniabicyclo[11.3.1]heptadec-15-ene-14,17-dione bromide Traditional Name: 7-butyl-7-decyl-15-methyl-1,13-diaza-7-azoniabicyclo[11.3.1]heptadec-15-ene-14,17-quinone bromide Formula: C29H54BrN3O2 MolecularWeight: 556.66196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC[N+]1(CCCCCN2C=C(C(=O)N(C2=O)CCCCC1)C)CCCC.[Br-]

Isomeric SMILES

CCCCCCCCCC[N+]1(CCCCCN2C=C(C(=O)N(C2=O)CCCCC1)C)CCCC.[Br-]

InChI

InChI=1S/C29H54N3O2.BrH/c1-4-6-8-9-10-11-12-17-23-32(22-7-5-2)24-18-13-15-20-30-26-27(3)28(33)31(29(30)34)21-16-14-19-25-32;/h26H,4-25H2,1-3H3;1H/q+1;/p-1