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

Systemtic Name: 1-morpholin-4-yl-3-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 1-morpholino-3-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 1-(4-morpholinyl)-3-[2-(1-pyrrolidin-1-iumyl)ethylthio]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 1-morpholin-4-yl-3-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 1-morpholino-3-(2-pyrrolidin-1-ium-1-ylethylthio)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C20H29N4OS+ MolecularWeight: 373.53546

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(N=C(C(=C2C1)C#N)SCC[NH+]3CCCC3)N4CCOCC4

Isomeric SMILES

C1CCC2=C(N=C(C(=C2C1)C#N)SCC[NH+]3CCCC3)N4CCOCC4

InChI

InChI=1S/C20H28N4OS/c21-15-18-16-5-1-2-6-17(16)19(24-9-12-25-13-10-24)22-20(18)26-14-11-23-7-3-4-8-23/h1-14H2/p+1