3-ethoxy-4-(3-pyrrolidin-1-ium-1-ylpropoxy)benzaldehyde

Systemtic Name: 3-ethoxy-4-(3-pyrrolidin-1-ium-1-ylpropoxy)benzaldehyde Openeye Name: 3-ethoxy-4-(3-pyrrolidin-1-ium-1-ylpropoxy)benzaldehyde CAS Name: 3-ethoxy-4-[3-(1-pyrrolidin-1-iumyl)propoxy]benzaldehyde IUPAC Name: 3-ethoxy-4-(3-pyrrolidin-1-ium-1-ylpropoxy)benzaldehyde Traditional Name: 3-ethoxy-4-(3-pyrrolidin-1-ium-1-ylpropoxy)benzaldehyde Formula: C16H24NO3+ MolecularWeight: 278.36666

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=O)OCCC[NH+]2CCCC2

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=O)OCCC[NH+]2CCCC2

InChI

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