4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]thiomorpholin-4-ium

Systemtic Name: 4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]thiomorpholin-4-ium Openeye Name: 4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]thiomorpholin-4-ium CAS Name: 4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]thiomorpholin-4-ium IUPAC Name: 4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]thiomorpholin-4-ium Traditional Name: 4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]thiomorpholin-4-ium Formula: C13H18NO3S+ MolecularWeight: 268.35192

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)C[NH+]3CCSCC3

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)C[NH+]3CCSCC3

InChI

InChI=1S/C13H17NO3S/c1-15-11-6-10(7-12-13(11)17-9-16-12)8-14-2-4-18-5-3-14/h6-7H,2-5,8-9H2,1H3/p+1