3-(2-morpholin-4-ium-4-ylethylsulfanyl)-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile

Systemtic Name: 3-(2-morpholin-4-ium-4-ylethylsulfanyl)-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 3-(2-morpholin-4-ium-4-ylethylsulfanyl)-1-morpholino-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 3-[2-(4-morpholin-4-iumyl)ethylthio]-1-(4-morpholinyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 3-(2-morpholin-4-ium-4-ylethylsulfanyl)-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 3-(2-morpholin-4-ium-4-ylethylthio)-1-morpholino-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C20H30N4O2S+2 MolecularWeight: 390.5428

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C([NH+]=C(C(=C2C1)C#N)SCC[NH+]3CCOCC3)N4CCOCC4

Isomeric SMILES

C1CCC2=C([NH+]=C(C(=C2C1)C#N)SCC[NH+]3CCOCC3)N4CCOCC4

InChI

InChI=1S/C20H28N4O2S/c21-15-18-16-3-1-2-4-17(16)19(24-7-12-26-13-8-24)22-20(18)27-14-9-23-5-10-25-11-6-23/h1-14H2/p+2