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

Systemtic Name: 2-[3-(4-ethylpiperazin-4-ium-1-yl)carbonylphenoxy]ethanal Openeye Name: 2-[3-(4-ethylpiperazin-4-ium-1-carbonyl)phenoxy]acetaldehyde CAS Name: 2-[3-[(4-ethyl-1-piperazin-4-iumyl)-oxomethyl]phenoxy]acetaldehyde IUPAC Name: 2-[3-(4-ethylpiperazin-4-ium-1-carbonyl)phenoxy]acetaldehyde Traditional Name: 2-[3-(4-ethylpiperazin-4-ium-1-carbonyl)phenoxy]acetaldehyde Formula: C15H21N2O3+ MolecularWeight: 277.33884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O3/c1-2-16-6-8-17(9-7-16)15(19)13-4-3-5-14(12-13)20-11-10-18/h3-5,10,12H,2,6-9,11H2,1H3/p+1