3-[3-(4-ethylpiperazin-4-ium-1-yl)propoxy]benzaldehyde

Systemtic Name: 3-[3-(4-ethylpiperazin-4-ium-1-yl)propoxy]benzaldehyde Openeye Name: 3-[3-(4-ethylpiperazin-4-ium-1-yl)propoxy]benzaldehyde CAS Name: 3-[3-(4-ethyl-1-piperazin-4-iumyl)propoxy]benzaldehyde IUPAC Name: 3-[3-(4-ethylpiperazin-4-ium-1-yl)propoxy]benzaldehyde Traditional Name: 3-[3-(4-ethylpiperazin-4-ium-1-yl)propoxy]benzaldehyde Formula: C16H25N2O2+ MolecularWeight: 277.3819

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CCCOC2=CC=CC(=C2)C=O

Isomeric SMILES

CC[NH+]1CCN(CC1)CCCOC2=CC=CC(=C2)C=O

InChI

InChI=1S/C16H24N2O2/c1-2-17-8-10-18(11-9-17)7-4-12-20-16-6-3-5-15(13-16)14-19/h3,5-6,13-14H,2,4,7-12H2,1H3/p+1