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

Systemtic Name: 4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)benzaldehyde Openeye Name: 4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)benzaldehyde CAS Name: 4-methoxy-3-(1-pyrrolidin-1-iumylmethyl)benzaldehyde IUPAC Name: 4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)benzaldehyde Traditional Name: 4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)benzaldehyde Formula: C13H18NO2+ MolecularWeight: 220.28752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO2/c1-16-13-5-4-11(10-15)8-12(13)9-14-6-2-3-7-14/h4-5,8,10H,2-3,6-7,9H2,1H3/p+1