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

Systemtic Name: 3-methoxy-4-(3-pyrrolidin-1-ium-1-ylpropoxy)benzaldehyde Openeye Name: 3-methoxy-4-(3-pyrrolidin-1-ium-1-ylpropoxy)benzaldehyde CAS Name: 3-methoxy-4-[3-(1-pyrrolidin-1-iumyl)propoxy]benzaldehyde IUPAC Name: 3-methoxy-4-(3-pyrrolidin-1-ium-1-ylpropoxy)benzaldehyde Traditional Name: 3-methoxy-4-(3-pyrrolidin-1-ium-1-ylpropoxy)benzaldehyde Formula: C15H22NO3+ MolecularWeight: 264.34008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO3/c1-18-15-11-13(12-17)5-6-14(15)19-10-4-9-16-7-2-3-8-16/h5-6,11-12H,2-4,7-10H2,1H3/p+1