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

Systemtic Name: 3-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 3-(2-morpholino-2-oxo-ethyl)sulfanyl-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 3-[[2-(4-morpholinyl)-2-oxoethyl]thio]-1-(1-pyrrolidinyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 3-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1-pyrrolidin-1-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 3-[(2-keto-2-morpholino-ethyl)thio]-1-pyrrolidino-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C20H27N4O2S+ MolecularWeight: 387.51898

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C([NH+]=C(C(=C2C1)C#N)SCC(=O)N3CCOCC3)N4CCCC4

Isomeric SMILES

C1CCC2=C([NH+]=C(C(=C2C1)C#N)SCC(=O)N3CCOCC3)N4CCCC4

InChI

InChI=1S/C20H26N4O2S/c21-13-17-15-5-1-2-6-16(15)19(24-7-3-4-8-24)22-20(17)27-14-18(25)23-9-11-26-12-10-23/h1-12,14H2/p+1