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

Systemtic Name: 4-ethoxy-3-(pyrrolidin-1-ium-1-ylmethyl)benzaldehyde Openeye Name: 4-ethoxy-3-(pyrrolidin-1-ium-1-ylmethyl)benzaldehyde CAS Name: 4-ethoxy-3-(1-pyrrolidin-1-iumylmethyl)benzaldehyde IUPAC Name: 4-ethoxy-3-(pyrrolidin-1-ium-1-ylmethyl)benzaldehyde Traditional Name: 4-ethoxy-3-(pyrrolidin-1-ium-1-ylmethyl)benzaldehyde Formula: C14H20NO2+ MolecularWeight: 234.3141

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO2/c1-2-17-14-6-5-12(11-16)9-13(14)10-15-7-3-4-8-15/h5-6,9,11H,2-4,7-8,10H2,1H3/p+1