methyl 2-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)sulfanyl]ethanoate

Systemtic Name: methyl 2-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)sulfanyl]ethanoate Openeye Name: methyl 2-[(4-cyano-1-morpholino-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)sulfanyl]acetate CAS Name: 2-[[4-cyano-1-(4-morpholinyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)sulfanyl]acetate Traditional Name: 2-[(4-cyano-1-morpholino-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)thio]acetic acid methyl ester Formula: C17H22N3O3S+ MolecularWeight: 348.43988

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=[NH+]C(=C2CCCCC2=C1C#N)N3CCOCC3

Isomeric SMILES

COC(=O)CSC1=[NH+]C(=C2CCCCC2=C1C#N)N3CCOCC3

InChI

InChI=1S/C17H21N3O3S/c1-22-15(21)11-24-17-14(10-18)12-4-2-3-5-13(12)16(19-17)20-6-8-23-9-7-20/h2-9,11H2,1H3/p+1