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

Systemtic Name: ethyl 2-[(4-cyano-1-piperidin-1-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)sulfanyl]ethanoate Openeye Name: ethyl 2-[[4-cyano-1-(1-piperidyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl]sulfanyl]acetate CAS Name: 2-[[4-cyano-1-(1-piperidinyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(4-cyano-1-piperidin-1-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)sulfanyl]acetate Traditional Name: 2-[(4-cyano-1-piperidino-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)thio]acetic acid ethyl ester Formula: C19H26N3O2S+ MolecularWeight: 360.49364

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=[NH+]C(=C2CCCCC2=C1C#N)N3CCCCC3

Isomeric SMILES

CCOC(=O)CSC1=[NH+]C(=C2CCCCC2=C1C#N)N3CCCCC3

InChI

InChI=1S/C19H25N3O2S/c1-2-24-17(23)13-25-19-16(12-20)14-8-4-5-9-15(14)18(21-19)22-10-6-3-7-11-22/h2-11,13H2,1H3/p+1