4-[4-(2-methylpropyl)piperazin-4-ium-1-yl]benzaldehyde

Systemtic Name: 4-[4-(2-methylpropyl)piperazin-4-ium-1-yl]benzaldehyde Openeye Name: 4-(4-isobutylpiperazin-4-ium-1-yl)benzaldehyde CAS Name: 4-[4-(2-methylpropyl)-1-piperazin-4-iumyl]benzaldehyde IUPAC Name: 4-[4-(2-methylpropyl)piperazin-4-ium-1-yl]benzaldehyde Traditional Name: 4-(4-isobutylpiperazin-4-ium-1-yl)benzaldehyde Formula: C15H23N2O+ MolecularWeight: 247.35592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CCN(CC1)C2=CC=C(C=C2)C=O

Isomeric SMILES

CC(C)C[NH+]1CCN(CC1)C2=CC=C(C=C2)C=O

InChI

InChI=1S/C15H22N2O/c1-13(2)11-16-7-9-17(10-8-16)15-5-3-14(12-18)4-6-15/h3-6,12-13H,7-11H2,1-2H3/p+1