1-morpholin-4-yl-3-[(4-nitrophenyl)methylsulfanyl]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile

Systemtic Name: 1-morpholin-4-yl-3-[(4-nitrophenyl)methylsulfanyl]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 1-morpholino-3-[(4-nitrophenyl)methylsulfanyl]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 1-(4-morpholinyl)-3-[(4-nitrophenyl)methylthio]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 1-morpholin-4-yl-3-[(4-nitrophenyl)methylsulfanyl]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 1-morpholino-3-[(4-nitrobenzyl)thio]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C21H23N4O3S+ MolecularWeight: 411.49732

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C([NH+]=C(C(=C2C1)C#N)SCC3=CC=C(C=C3)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

C1CCC2=C([NH+]=C(C(=C2C1)C#N)SCC3=CC=C(C=C3)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C21H22N4O3S/c22-13-19-17-3-1-2-4-18(17)20(24-9-11-28-12-10-24)23-21(19)29-14-15-5-7-16(8-6-15)25(26)27/h5-8H,1-4,9-12,14H2/p+1