5-chloranyl-2-[4-(4-methylpiperazine-1,4-diium-1-yl)butoxy]benzaldehyde

Systemtic Name: 5-chloranyl-2-[4-(4-methylpiperazine-1,4-diium-1-yl)butoxy]benzaldehyde Openeye Name: 5-chloro-2-[4-(4-methylpiperazine-1,4-diium-1-yl)butoxy]benzaldehyde CAS Name: 5-chloro-2-[4-(4-methyl-1-piperazine-1,4-diiumyl)butoxy]benzaldehyde IUPAC Name: 5-chloro-2-[4-(4-methylpiperazine-1,4-diium-1-yl)butoxy]benzaldehyde Traditional Name: 5-chloro-2-[4-(4-methylpiperazine-1,4-diium-1-yl)butoxy]benzaldehyde Formula: C16H25ClN2O2+2 MolecularWeight: 312.8349

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CCCCOC2=C(C=C(C=C2)Cl)C=O

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CCCCOC2=C(C=C(C=C2)Cl)C=O

InChI

InChI=1S/C16H23ClN2O2/c1-18-7-9-19(10-8-18)6-2-3-11-21-16-5-4-15(17)12-14(16)13-20/h4-5,12-13H,2-3,6-11H2,1H3/p+2