4-[2-(4-methylpiperazin-4-ium-1-yl)ethoxy]benzaldehyde

Systemtic Name: 4-[2-(4-methylpiperazin-4-ium-1-yl)ethoxy]benzaldehyde Openeye Name: 4-[2-(4-methylpiperazin-4-ium-1-yl)ethoxy]benzaldehyde CAS Name: 4-[2-(4-methyl-1-piperazin-4-iumyl)ethoxy]benzaldehyde IUPAC Name: 4-[2-(4-methylpiperazin-4-ium-1-yl)ethoxy]benzaldehyde Traditional Name: 4-[2-(4-methylpiperazin-4-ium-1-yl)ethoxy]benzaldehyde Formula: C14H21N2O2+ MolecularWeight: 249.32874

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CCOC2=CC=C(C=C2)C=O

Isomeric SMILES

C[NH+]1CCN(CC1)CCOC2=CC=C(C=C2)C=O

InChI

InChI=1S/C14H20N2O2/c1-15-6-8-16(9-7-15)10-11-18-14-4-2-13(12-17)3-5-14/h2-5,12H,6-11H2,1H3/p+1