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

Systemtic Name: 3-[4-(4-ethylpiperazin-4-ium-1-yl)carbonylphenoxy]propanal Openeye Name: 3-[4-(4-ethylpiperazin-4-ium-1-carbonyl)phenoxy]propanal CAS Name: 3-[4-[(4-ethyl-1-piperazin-4-iumyl)-oxomethyl]phenoxy]propanal IUPAC Name: 3-[4-(4-ethylpiperazin-4-ium-1-carbonyl)phenoxy]propanal Traditional Name: 3-[4-(4-ethylpiperazin-4-ium-1-carbonyl)phenoxy]propionaldehyde Formula: C16H23N2O3+ MolecularWeight: 291.36542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O3/c1-2-17-8-10-18(11-9-17)16(20)14-4-6-15(7-5-14)21-13-3-12-19/h4-7,12H,2-3,8-11,13H2,1H3/p+1