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

Systemtic Name: 1-morpholin-4-yl-3-phenethylsulfanyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 1-morpholino-3-phenethylsulfanyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 1-(4-morpholinyl)-3-(phenethylthio)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 1-morpholin-4-yl-3-phenethylsulfanyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 1-morpholino-3-(phenethylthio)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C22H26N3OS+ MolecularWeight: 380.52634

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C([NH+]=C(C(=C2C1)C#N)SCCC3=CC=CC=C3)N4CCOCC4

Isomeric SMILES

C1CCC2=C([NH+]=C(C(=C2C1)C#N)SCCC3=CC=CC=C3)N4CCOCC4

InChI

InChI=1S/C22H25N3OS/c23-16-20-18-8-4-5-9-19(18)21(25-11-13-26-14-12-25)24-22(20)27-15-10-17-6-2-1-3-7-17/h1-3,6-7H,4-5,8-15H2/p+1