5-chloranyl-2-[4-(4-methylpiperazin-1-ium-1-yl)butoxy]benzaldehyde

Systemtic Name: 5-chloranyl-2-[4-(4-methylpiperazin-1-ium-1-yl)butoxy]benzaldehyde Openeye Name: 5-chloro-2-[4-(4-methylpiperazin-1-ium-1-yl)butoxy]benzaldehyde CAS Name: 5-chloro-2-[4-(4-methyl-1-piperazin-1-iumyl)butoxy]benzaldehyde IUPAC Name: 5-chloro-2-[4-(4-methylpiperazin-1-ium-1-yl)butoxy]benzaldehyde Traditional Name: 5-chloro-2-[4-(4-methylpiperazin-1-ium-1-yl)butoxy]benzaldehyde Formula: C16H24ClN2O2+ MolecularWeight: 311.82696

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1)CCCCOC2=C(C=C(C=C2)Cl)C=O

Isomeric SMILES

CN1CC[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+1