3-methoxy-2-(3-pyrrolidin-1-ium-1-ylpropoxy)benzaldehyde

Systemtic Name: 3-methoxy-2-(3-pyrrolidin-1-ium-1-ylpropoxy)benzaldehyde Openeye Name: 3-methoxy-2-(3-pyrrolidin-1-ium-1-ylpropoxy)benzaldehyde CAS Name: 3-methoxy-2-[3-(1-pyrrolidin-1-iumyl)propoxy]benzaldehyde IUPAC Name: 3-methoxy-2-(3-pyrrolidin-1-ium-1-ylpropoxy)benzaldehyde Traditional Name: 3-methoxy-2-(3-pyrrolidin-1-ium-1-ylpropoxy)benzaldehyde Formula: C15H22NO3+ MolecularWeight: 264.34008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OCCC[NH+]2CCCC2)C=O

Isomeric SMILES

COC1=CC=CC(=C1OCCC[NH+]2CCCC2)C=O

InChI

InChI=1S/C15H21NO3/c1-18-14-7-4-6-13(12-17)15(14)19-11-5-10-16-8-2-3-9-16/h4,6-7,12H,2-3,5,8-11H2,1H3/p+1