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

Systemtic Name: 3-methoxy-2-(2-pyrrolidin-1-ium-1-ylethoxy)benzaldehyde Openeye Name: 3-methoxy-2-(2-pyrrolidin-1-ium-1-ylethoxy)benzaldehyde CAS Name: 3-methoxy-2-[2-(1-pyrrolidin-1-iumyl)ethoxy]benzaldehyde IUPAC Name: 3-methoxy-2-(2-pyrrolidin-1-ium-1-ylethoxy)benzaldehyde Traditional Name: 3-methoxy-2-(2-pyrrolidin-1-ium-1-ylethoxy)benzaldehyde Formula: C14H20NO3+ MolecularWeight: 250.3135

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OCC[NH+]2CCCC2)C=O

Isomeric SMILES

COC1=CC=CC(=C1OCC[NH+]2CCCC2)C=O

InChI

InChI=1S/C14H19NO3/c1-17-13-6-4-5-12(11-16)14(13)18-10-9-15-7-2-3-8-15/h4-6,11H,2-3,7-10H2,1H3/p+1