2,5-dimethyl-3,3-diphenyl-6-azoniaspiro[5.6]dodecan-4-one bromide

Systemtic Name: 2,5-dimethyl-3,3-diphenyl-6-azoniaspiro[5.6]dodecan-4-one bromide Openeye Name: 2,5-dimethyl-3,3-diphenyl-6-azoniaspiro[5.6]dodecan-4-one bromide CAS Name: 2,5-dimethyl-3,3-diphenyl-6-azoniaspiro[5.6]dodecan-4-one bromide IUPAC Name: 2,5-dimethyl-3,3-diphenyl-6-azoniaspiro[5.6]dodecan-4-one bromide Traditional Name: 2,5-dimethyl-3,3-diphenyl-6-azoniaspiro[5.6]dodecan-4-one bromide Formula: C25H32BrNO MolecularWeight: 442.43168

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[N+]2(CCCCCC2)C(C(=O)C1(C3=CC=CC=C3)C4=CC=CC=C4)C.[Br-]

Isomeric SMILES

CC1C[N+]2(CCCCCC2)C(C(=O)C1(C3=CC=CC=C3)C4=CC=CC=C4)C.[Br-]

InChI

InChI=1S/C25H32NO.BrH/c1-20-19-26(17-11-3-4-12-18-26)21(2)24(27)25(20,22-13-7-5-8-14-22)23-15-9-6-10-16-23;/h5-10,13-16,20-21H,3-4,11-12,17-19H2,1-2H3;1H/q+1;/p-1