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

Systemtic Name: 2-[4-(4-methylpiperazin-1-ium-1-yl)butoxy]benzaldehyde Openeye Name: 2-[4-(4-methylpiperazin-1-ium-1-yl)butoxy]benzaldehyde CAS Name: 2-[4-(4-methyl-1-piperazin-1-iumyl)butoxy]benzaldehyde IUPAC Name: 2-[4-(4-methylpiperazin-1-ium-1-yl)butoxy]benzaldehyde Traditional Name: 2-[4-(4-methylpiperazin-1-ium-1-yl)butoxy]benzaldehyde Formula: C16H25N2O2+ MolecularWeight: 277.3819

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1)CCCCOC2=CC=CC=C2C=O

Isomeric SMILES

CN1CC[NH+](CC1)CCCCOC2=CC=CC=C2C=O

InChI

InChI=1S/C16H24N2O2/c1-17-9-11-18(12-10-17)8-4-5-13-20-16-7-3-2-6-15(16)14-19/h2-3,6-7,14H,4-5,8-13H2,1H3/p+1