4-methoxy-3-(thiomorpholin-4-ium-4-ylmethyl)benzaldehyde

Systemtic Name: 4-methoxy-3-(thiomorpholin-4-ium-4-ylmethyl)benzaldehyde Openeye Name: 4-methoxy-3-(thiomorpholin-4-ium-4-ylmethyl)benzaldehyde CAS Name: 4-methoxy-3-(4-thiomorpholin-4-iumylmethyl)benzaldehyde IUPAC Name: 4-methoxy-3-(thiomorpholin-4-ium-4-ylmethyl)benzaldehyde Traditional Name: 4-methoxy-3-(thiomorpholin-4-ium-4-ylmethyl)benzaldehyde Formula: C13H18NO2S+ MolecularWeight: 252.35252

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=O)C[NH+]2CCSCC2

Isomeric SMILES

COC1=C(C=C(C=C1)C=O)C[NH+]2CCSCC2

InChI

InChI=1S/C13H17NO2S/c1-16-13-3-2-11(10-15)8-12(13)9-14-4-6-17-7-5-14/h2-3,8,10H,4-7,9H2,1H3/p+1