3-[4-(4-methylpiperazin-1-ium-1-yl)butoxy]benzaldehyde

Systemtic Name: 3-[4-(4-methylpiperazin-1-ium-1-yl)butoxy]benzaldehyde Openeye Name: 3-[4-(4-methylpiperazin-1-ium-1-yl)butoxy]benzaldehyde CAS Name: 3-[4-(4-methyl-1-piperazin-1-iumyl)butoxy]benzaldehyde IUPAC Name: 3-[4-(4-methylpiperazin-1-ium-1-yl)butoxy]benzaldehyde Traditional Name: 3-[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(=C2)C=O

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O2/c1-17-8-10-18(11-9-17)7-2-3-12-20-16-6-4-5-15(13-16)14-19/h4-6,13-14H,2-3,7-12H2,1H3/p+1