2,5-dimethyl-4-[4-(2-methylpropyl)piperazin-4-ium-1-yl]benzaldehyde

Systemtic Name: 2,5-dimethyl-4-[4-(2-methylpropyl)piperazin-4-ium-1-yl]benzaldehyde Openeye Name: 4-(4-isobutylpiperazin-4-ium-1-yl)-2,5-dimethyl-benzaldehyde CAS Name: 2,5-dimethyl-4-[4-(2-methylpropyl)-1-piperazin-4-iumyl]benzaldehyde IUPAC Name: 2,5-dimethyl-4-[4-(2-methylpropyl)piperazin-4-ium-1-yl]benzaldehyde Traditional Name: 4-(4-isobutylpiperazin-4-ium-1-yl)-2,5-dimethyl-benzaldehyde Formula: C17H27N2O+ MolecularWeight: 275.40908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C=O)C)N2CC[NH+](CC2)CC(C)C

Isomeric SMILES

CC1=CC(=C(C=C1C=O)C)N2CC[NH+](CC2)CC(C)C

InChI

InChI=1S/C17H26N2O/c1-13(2)11-18-5-7-19(8-6-18)17-10-14(3)16(12-20)9-15(17)4/h9-10,12-13H,5-8,11H2,1-4H3/p+1