1-[(4-tert-butylphenyl)methyl]-1-[2-(7-chloranyldibenzofuran-3-yl)oxyethyl]piperidin-1-ium bromide

Systemtic Name: 1-[(4-tert-butylphenyl)methyl]-1-[2-(7-chloranyldibenzofuran-3-yl)oxyethyl]piperidin-1-ium bromide Openeye Name: 1-[(4-tert-butylphenyl)methyl]-1-[2-(7-chlorodibenzofuran-3-yl)oxyethyl]piperidin-1-ium bromide CAS Name: 1-[(4-tert-butylphenyl)methyl]-1-[2-[(7-chloro-3-dibenzofuranyl)oxy]ethyl]piperidin-1-ium bromide IUPAC Name: 1-[(4-tert-butylphenyl)methyl]-1-[2-(7-chlorodibenzofuran-3-yl)oxyethyl]piperidin-1-ium bromide Traditional Name: 1-(4-tert-butylbenzyl)-1-[2-(7-chlorodibenzofuran-3-yl)oxyethyl]piperidin-1-ium bromide Formula: C30H35BrClNO2 MolecularWeight: 556.9614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C[N+]2(CCCCC2)CCOC3=CC4=C(C=C3)C5=C(O4)C=C(C=C5)Cl.[Br-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C[N+]2(CCCCC2)CCOC3=CC4=C(C=C3)C5=C(O4)C=C(C=C5)Cl.[Br-]

InChI

InChI=1S/C30H35ClNO2.BrH/c1-30(2,3)23-9-7-22(8-10-23)21-32(15-5-4-6-16-32)17-18-33-25-12-14-27-26-13-11-24(31)19-28(26)34-29(27)20-25;/h7-14,19-20H,4-6,15-18,21H2,1-3H3;1H/q+1;/p-1