2-[3-(4-methylpiperazin-4-ium-1-yl)carbonylphenoxy]ethanal

Systemtic Name: 2-[3-(4-methylpiperazin-4-ium-1-yl)carbonylphenoxy]ethanal Openeye Name: 2-[3-(4-methylpiperazin-4-ium-1-carbonyl)phenoxy]acetaldehyde CAS Name: 2-[3-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]phenoxy]acetaldehyde IUPAC Name: 2-[3-(4-methylpiperazin-4-ium-1-carbonyl)phenoxy]acetaldehyde Traditional Name: 2-[3-(4-methylpiperazin-4-ium-1-carbonyl)phenoxy]acetaldehyde Formula: C14H19N2O3+ MolecularWeight: 263.31226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O3/c1-15-5-7-16(8-6-15)14(18)12-3-2-4-13(11-12)19-10-9-17/h2-4,9,11H,5-8,10H2,1H3/p+1