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

Systemtic Name: 4-[(4-butan-2-ylphenyl)methyl]-1-methyl-1,4-diazoniabicyclo[2.2.2]octane Openeye Name: 1-methyl-4-[(4-sec-butylphenyl)methyl]-1,4-diazoniabicyclo[2.2.2]octane CAS Name: 4-[(4-butan-2-ylphenyl)methyl]-1-methyl-1,4-diazoniabicyclo[2.2.2]octane IUPAC Name: 4-[(4-butan-2-ylphenyl)methyl]-1-methyl-1,4-diazoniabicyclo[2.2.2]octane Traditional Name: 1-methyl-4-(4-sec-butylbenzyl)-1,4-diazoniabicyclo[2.2.2]octane Formula: C18H30N2+2 MolecularWeight: 274.4442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N2/c1-4-16(2)18-7-5-17(6-8-18)15-20-12-9-19(3,10-13-20)11-14-20/h5-8,16H,4,9-15H2,1-3H3/q+2