1,4-bis[(4-butan-2-ylphenyl)methyl]-1,4-diazoniabicyclo[2.2.2]octane

Systemtic Name: 1,4-bis[(4-butan-2-ylphenyl)methyl]-1,4-diazoniabicyclo[2.2.2]octane Openeye Name: 1,4-bis[(4-sec-butylphenyl)methyl]-1,4-diazoniabicyclo[2.2.2]octane CAS Name: 1,4-bis[(4-butan-2-ylphenyl)methyl]-1,4-diazoniabicyclo[2.2.2]octane IUPAC Name: 1,4-bis[(4-butan-2-ylphenyl)methyl]-1,4-diazoniabicyclo[2.2.2]octane Traditional Name: 1,4-bis(4-sec-butylbenzyl)-1,4-diazoniabicyclo[2.2.2]octane Formula: C28H42N2+2 MolecularWeight: 406.64648

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C[N+]23CC[N+](CC2)(CC3)CC4=CC=C(C=C4)C(C)CC

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C[N+]23CC[N+](CC2)(CC3)CC4=CC=C(C=C4)C(C)CC

InChI

InChI=1S/C28H42N2/c1-5-23(3)27-11-7-25(8-12-27)21-29-15-18-30(19-16-29,20-17-29)22-26-9-13-28(14-10-26)24(4)6-2/h7-14,23-24H,5-6,15-22H2,1-4H3/q+2