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

Systemtic Name: 3-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-1-piperidin-1-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Openeye Name: 3-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-1-(1-piperidyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile CAS Name: 3-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-1-(1-piperidinyl)-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile IUPAC Name: 3-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1-piperidin-1-yl-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Traditional Name: 3-[(2-keto-2-pyrrolidino-ethyl)thio]-1-piperidino-5,6,7,8-tetrahydroisoquinolin-2-ium-4-carbonitrile Formula: C21H29N4OS+ MolecularWeight: 385.54616

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C3CCCCC3=C(C(=[NH+]2)SCC(=O)N4CCCC4)C#N

Isomeric SMILES

C1CCN(CC1)C2=C3CCCCC3=C(C(=[NH+]2)SCC(=O)N4CCCC4)C#N

InChI

InChI=1S/C21H28N4OS/c22-14-18-16-8-2-3-9-17(16)20(25-12-4-1-5-13-25)23-21(18)27-15-19(26)24-10-6-7-11-24/h1-13,15H2/p+1