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2-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)sulfanyl]ethyl-dimethyl-azanium

2-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)sulfanyl]ethyl-dimethyl-azanium

Systemtic Name:2-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)sulfanyl]ethyl-dimethyl-azanium
Openeye Name:2-[(4-cyano-1-morpholino-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)sulfanyl]ethyl-dimethyl-ammonium
CAS Name:2-[[4-cyano-1-(4-morpholinyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl]thio]ethyl-dimethylammonium
IUPAC Name:2-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)sulfanyl]ethyl-dimethylazanium
Traditional Name:2-[(4-cyano-1-morpholino-5,6,7,8-tetrahydroisoquinolin-2-ium-3-yl)thio]ethyl-dimethyl-ammonium
Formula: C18H28N4OS+2
MolecularWeight: 348.50612
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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCSC1=[NH+]C(=C2CCCCC2=C1C#N)N3CCOCC3


Isomeric SMILES

C[NH+](C)CCSC1=[NH+]C(=C2CCCCC2=C1C#N)N3CCOCC3


InChI

InChI=1S/C18H26N4OS/c1-21(2)9-12-24-18-16(13-19)14-5-3-4-6-15(14)17(20-18)22-7-10-23-11-8-22/h3-12H2,1-2H3/p+2


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