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

Systemtic Name: 3-(2-methylpropylsulfanyl)-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 3-isobutylsulfanyl-1-morpholino-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 3-(2-methylpropylthio)-1-(4-morpholinyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 3-(2-methylpropylsulfanyl)-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 3-(isobutylthio)-1-morpholino-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C18H26N3OS+ MolecularWeight: 332.48354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3OS/c1-13(2)12-23-18-16(11-19)14-5-3-4-6-15(14)17(20-18)21-7-9-22-10-8-21/h13H,3-10,12H2,1-2H3/p+1