S-ethyl 2-methyl-3,4-dihydroisoquinolin-2-ium-1-carbothioate

Systemtic Name: S-ethyl 2-methyl-3,4-dihydroisoquinolin-2-ium-1-carbothioate Openeye Name: S-ethyl 2-methyl-3,4-dihydroisoquinolin-2-ium-1-carbothioate CAS Name: 2-methyl-3,4-dihydroisoquinolin-2-ium-1-carbothioic acid S-ethyl ester IUPAC Name: S-ethyl 2-methyl-3,4-dihydroisoquinolin-2-ium-1-carbothioate Traditional Name: 2-methyl-3,4-dihydroisoquinolin-2-ium-1-carbothioic acid S-ethyl ester Formula: C13H16NOS+ MolecularWeight: 234.33724

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=O)C1=[N+](CCC2=CC=CC=C21)C

Isomeric SMILES

CCSC(=O)C1=[N+](CCC2=CC=CC=C21)C

InChI

InChI=1S/C13H16NOS/c1-3-16-13(15)12-11-7-5-4-6-10(11)8-9-14(12)2/h4-7H,3,8-9H2,1-2H3/q+1