2-[4-(4-methylpiperazine-1,4-diium-1-yl)butoxy]benzaldehyde

Systemtic Name: 2-[4-(4-methylpiperazine-1,4-diium-1-yl)butoxy]benzaldehyde Openeye Name: 2-[4-(4-methylpiperazine-1,4-diium-1-yl)butoxy]benzaldehyde CAS Name: 2-[4-(4-methyl-1-piperazine-1,4-diiumyl)butoxy]benzaldehyde IUPAC Name: 2-[4-(4-methylpiperazine-1,4-diium-1-yl)butoxy]benzaldehyde Traditional Name: 2-[4-(4-methylpiperazine-1,4-diium-1-yl)butoxy]benzaldehyde Formula: C16H26N2O2+2 MolecularWeight: 278.38984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CCCCOC2=CC=CC=C2C=O

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CCCCOC2=CC=CC=C2C=O

InChI

InChI=1S/C16H24N2O2/c1-17-9-11-18(12-10-17)8-4-5-13-20-16-7-3-2-6-15(16)14-19/h2-3,6-7,14H,4-5,8-13H2,1H3/p+2