3,5-dimethyl-4-(2-pyrrolidin-1-ium-1-ylethoxy)benzaldehyde

Systemtic Name: 3,5-dimethyl-4-(2-pyrrolidin-1-ium-1-ylethoxy)benzaldehyde Openeye Name: 3,5-dimethyl-4-(2-pyrrolidin-1-ium-1-ylethoxy)benzaldehyde CAS Name: 3,5-dimethyl-4-[2-(1-pyrrolidin-1-iumyl)ethoxy]benzaldehyde IUPAC Name: 3,5-dimethyl-4-(2-pyrrolidin-1-ium-1-ylethoxy)benzaldehyde Traditional Name: 3,5-dimethyl-4-(2-pyrrolidin-1-ium-1-ylethoxy)benzaldehyde Formula: C15H22NO2+ MolecularWeight: 248.34068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC[NH+]2CCCC2)C)C=O

Isomeric SMILES

CC1=CC(=CC(=C1OCC[NH+]2CCCC2)C)C=O

InChI

InChI=1S/C15H21NO2/c1-12-9-14(11-17)10-13(2)15(12)18-8-7-16-5-3-4-6-16/h9-11H,3-8H2,1-2H3/p+1