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

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

Systemtic Name:1-morpholin-4-yl-3-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile
Openeye Name:1-morpholino-3-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile
CAS Name:1-(4-morpholinyl)-3-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile
IUPAC Name:1-morpholin-4-yl-3-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile
Traditional Name:3-[(2-keto-2-piperidino-ethyl)thio]-1-morpholino-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile
Formula: C21H29N4O2S+
MolecularWeight: 401.54556
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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSC2=[NH+]C(=C3CCCCC3=C2C#N)N4CCOCC4


Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=[NH+]C(=C3CCCCC3=C2C#N)N4CCOCC4


InChI

InChI=1S/C21H28N4O2S/c22-14-18-16-6-2-3-7-17(16)20(25-10-12-27-13-11-25)23-21(18)28-15-19(26)24-8-4-1-5-9-24/h1-13,15H2/p+1


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