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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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