4-[(4-methylphenyl)methyl]-1-aza-4-azoniabicyclo[2.2.2]octane perchlorate

Systemtic Name: 4-[(4-methylphenyl)methyl]-1-aza-4-azoniabicyclo[2.2.2]octane perchlorate Openeye Name: 4-(p-tolylmethyl)-1-aza-4-azoniabicyclo[2.2.2]octane perchlorate CAS Name: 4-[(4-methylphenyl)methyl]-1-aza-4-azoniabicyclo[2.2.2]octane perchlorate IUPAC Name: 4-[(4-methylphenyl)methyl]-1-aza-4-azoniabicyclo[2.2.2]octane perchlorate Traditional Name: 4-(4-methylbenzyl)-1-aza-4-azoniabicyclo[2.2.2]octane perchlorate Formula: C14H21ClN2O4 MolecularWeight: 316.78054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[N+]23CCN(CC2)CC3.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=CC=C(C=C1)C[N+]23CCN(CC2)CC3.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C14H21N2.ClHO4/c1-13-2-4-14(5-3-13)12-16-9-6-15(7-10-16)8-11-16;2-1(3,4)5/h2-5H,6-12H2,1H3;(H,2,3,4,5)/q+1;/p-1