3,7-bis(3-oxidanylpropyl)-1,5-diphenyl-3,7-diazoniabicyclo[3.3.1]nonan-9-one

Systemtic Name: 3,7-bis(3-oxidanylpropyl)-1,5-diphenyl-3,7-diazoniabicyclo[3.3.1]nonan-9-one Openeye Name: 3,7-bis(3-hydroxypropyl)-1,5-diphenyl-3,7-diazoniabicyclo[3.3.1]nonan-9-one CAS Name: 3,7-bis(3-hydroxypropyl)-1,5-diphenyl-3,7-diazoniabicyclo[3.3.1]nonan-9-one IUPAC Name: 3,7-bis(3-hydroxypropyl)-1,5-diphenyl-3,7-diazoniabicyclo[3.3.1]nonan-9-one Traditional Name: 3,7-bis(3-hydroxypropyl)-1,5-diphenyl-3,7-diazoniabicyclo[3.3.1]nonan-9-one Formula: C25H34N2O3+2 MolecularWeight: 410.54906

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Descriptors Computed from Structure

Canonical SMILES:

C1C2(C[NH+](CC(C2=O)(C[NH+]1CCCO)C3=CC=CC=C3)CCCO)C4=CC=CC=C4

Isomeric SMILES

C1C2(C[NH+](CC(C2=O)(C[NH+]1CCCO)C3=CC=CC=C3)CCCO)C4=CC=CC=C4

InChI

InChI=1S/C25H32N2O3/c28-15-7-13-26-17-24(21-9-3-1-4-10-21)18-27(14-8-16-29)20-25(19-26,23(24)30)22-11-5-2-6-12-22/h1-6,9-12,28-29H,7-8,13-20H2/p+2