4-methoxy-3-(pyridin-1-ium-2-ylsulfanylmethyl)benzaldehyde

Systemtic Name: 4-methoxy-3-(pyridin-1-ium-2-ylsulfanylmethyl)benzaldehyde Openeye Name: 4-methoxy-3-(pyridin-1-ium-2-ylsulfanylmethyl)benzaldehyde CAS Name: 4-methoxy-3-[(2-pyridin-1-iumylthio)methyl]benzaldehyde IUPAC Name: 4-methoxy-3-(pyridin-1-ium-2-ylsulfanylmethyl)benzaldehyde Traditional Name: 4-methoxy-3-[(pyridin-1-ium-2-ylthio)methyl]benzaldehyde Formula: C14H14NO2S+ MolecularWeight: 260.33146

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=O)CSC2=CC=CC=[NH+]2

Isomeric SMILES

COC1=C(C=C(C=C1)C=O)CSC2=CC=CC=[NH+]2

InChI

InChI=1S/C14H13NO2S/c1-17-13-6-5-11(9-16)8-12(13)10-18-14-4-2-3-7-15-14/h2-9H,10H2,1H3/p+1