3-[2-(azepan-1-ium-1-yl)ethoxy]benzaldehyde

Systemtic Name: 3-[2-(azepan-1-ium-1-yl)ethoxy]benzaldehyde Openeye Name: 3-[2-(azepan-1-ium-1-yl)ethoxy]benzaldehyde CAS Name: 3-[2-(1-azepan-1-iumyl)ethoxy]benzaldehyde IUPAC Name: 3-[2-(azepan-1-ium-1-yl)ethoxy]benzaldehyde Traditional Name: 3-[2-(azepan-1-ium-1-yl)ethoxy]benzaldehyde Formula: C15H22NO2+ MolecularWeight: 248.34068

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCOC2=CC=CC(=C2)C=O

Isomeric SMILES

C1CCC[NH+](CC1)CCOC2=CC=CC(=C2)C=O

InChI

InChI=1S/C15H21NO2/c17-13-14-6-5-7-15(12-14)18-11-10-16-8-3-1-2-4-9-16/h5-7,12-13H,1-4,8-11H2/p+1