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

Systemtic Name: 3-(2-morpholin-4-ium-4-ylethylsulfanyl)-1-piperidin-1-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 3-(2-morpholin-4-ium-4-ylethylsulfanyl)-1-(1-piperidyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 3-[2-(4-morpholin-4-iumyl)ethylthio]-1-(1-piperidinyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 3-(2-morpholin-4-ium-4-ylethylsulfanyl)-1-piperidin-1-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 3-(2-morpholin-4-ium-4-ylethylthio)-1-piperidino-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C21H32N4OS+2 MolecularWeight: 388.56998

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C3CCCCC3=C(C(=[NH+]2)SCC[NH+]4CCOCC4)C#N

Isomeric SMILES

C1CCN(CC1)C2=C3CCCCC3=C(C(=[NH+]2)SCC[NH+]4CCOCC4)C#N

InChI

InChI=1S/C21H30N4OS/c22-16-19-17-6-2-3-7-18(17)20(25-8-4-1-5-9-25)23-21(19)27-15-12-24-10-13-26-14-11-24/h1-15H2/p+2