3-ethylsulfanyl-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile

Systemtic Name: 3-ethylsulfanyl-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 3-ethylsulfanyl-1-morpholino-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 3-(ethylthio)-1-(4-morpholinyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 3-ethylsulfanyl-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 3-(ethylthio)-1-morpholino-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C16H22N3OS+ MolecularWeight: 304.43038

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=[NH+]C(=C2CCCCC2=C1C#N)N3CCOCC3

Isomeric SMILES

CCSC1=[NH+]C(=C2CCCCC2=C1C#N)N3CCOCC3

InChI

InChI=1S/C16H21N3OS/c1-2-21-16-14(11-17)12-5-3-4-6-13(12)15(18-16)19-7-9-20-10-8-19/h2-10H2,1H3/p+1