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

Systemtic Name: 1-morpholin-4-yl-3-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 1-morpholino-3-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 1-(4-morpholinyl)-3-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 1-morpholin-4-yl-3-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 3-[(2-keto-2-pyrrolidino-ethyl)thio]-1-morpholino-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)N3CCCC3)N4CCOCC4

Isomeric SMILES

C1CCC2=C([NH+]=C(C(=C2C1)C#N)SCC(=O)N3CCCC3)N4CCOCC4

InChI

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