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

Systemtic Name: 2-[2-(azepan-1-ium-1-yl)ethoxy]-3-methoxy-benzaldehyde Openeye Name: 2-[2-(azepan-1-ium-1-yl)ethoxy]-3-methoxy-benzaldehyde CAS Name: 2-[2-(1-azepan-1-iumyl)ethoxy]-3-methoxybenzaldehyde IUPAC Name: 2-[2-(azepan-1-ium-1-yl)ethoxy]-3-methoxybenzaldehyde Traditional Name: 2-[2-(azepan-1-ium-1-yl)ethoxy]-3-methoxy-benzaldehyde Formula: C16H24NO3+ MolecularWeight: 278.36666

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OCC[NH+]2CCCCCC2)C=O

Isomeric SMILES

COC1=CC=CC(=C1OCC[NH+]2CCCCCC2)C=O

InChI

InChI=1S/C16H23NO3/c1-19-15-8-6-7-14(13-18)16(15)20-12-11-17-9-4-2-3-5-10-17/h6-8,13H,2-5,9-12H2,1H3/p+1