1-butyl-1-azoniabicyclo[2.2.2]octan-3-ol; 9H-xanthene-9-carboxylate; hydrobromide

Systemtic Name: 1-butyl-1-azoniabicyclo[2.2.2]octan-3-ol; 9H-xanthene-9-carboxylate; hydrobromide Openeye Name: 1-butylquinuclidin-1-ium-3-ol; 9H-xanthene-9-carboxylate; hydrobromide CAS Name: 1-butyl-1-azoniabicyclo[2.2.2]octan-3-ol; 9H-xanthene-9-carboxylate; hydrobromide IUPAC Name: 1-butyl-1-azoniabicyclo[2.2.2]octan-3-ol; 9H-xanthene-9-carboxylate; hydrobromide Traditional Name: 1-butylquinuclidin-1-ium-3-ol; 9H-xanthene-9-carboxylate; hydrobromide Formula: C25H32BrNO4 MolecularWeight: 490.42988

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]12CCC(CC1)C(C2)O.C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)[O-].Br

Isomeric SMILES

CCCC[N+]12CCC(CC1)C(C2)O.C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)[O-].Br

InChI

InChI=1S/C14H10O3.C11H22NO.BrH/c15-14(16)13-9-5-1-3-7-11(9)17-12-8-4-2-6-10(12)13;1-2-3-6-12-7-4-10(5-8-12)11(13)9-12;/h1-8,13H,(H,15,16);10-11,13H,2-9H2,1H3;1H/q;+1;/p-1