3-bromanyl-5-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)benzaldehyde

Systemtic Name: 3-bromanyl-5-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)benzaldehyde Openeye Name: 3-bromo-5-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)benzaldehyde CAS Name: 3-bromo-5-methoxy-4-[2-(1-pyrrolidin-1-iumyl)ethoxy]benzaldehyde IUPAC Name: 3-bromo-5-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)benzaldehyde Traditional Name: 3-bromo-5-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)benzaldehyde Formula: C14H19BrNO3+ MolecularWeight: 329.20956

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=O)Br)OCC[NH+]2CCCC2

Isomeric SMILES

COC1=C(C(=CC(=C1)C=O)Br)OCC[NH+]2CCCC2

InChI

InChI=1S/C14H18BrNO3/c1-18-13-9-11(10-17)8-12(15)14(13)19-7-6-16-4-2-3-5-16/h8-10H,2-7H2,1H3/p+1