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

Systemtic Name: ethyl 2-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)sulfanyl]ethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C18H24N3O3S+ MolecularWeight: 362.46646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O3S/c1-2-24-16(22)12-25-18-15(11-19)13-5-3-4-6-14(13)17(20-18)21-7-9-23-10-8-21/h2-10,12H2,1H3/p+1