S-(4-pyrrolidin-1-ylbutyl) 2-cyclohex-2-en-1-yl-2-phenyl-ethanethioate chloride

Systemtic Name: S-(4-pyrrolidin-1-ylbutyl) 2-cyclohex-2-en-1-yl-2-phenyl-ethanethioate chloride Openeye Name: S-(4-pyrrolidin-1-ylbutyl) 2-cyclohex-2-en-1-yl-2-phenyl-ethanethioate chloride CAS Name: 2-(1-cyclohex-2-enyl)-2-phenylethanethioic acid S-[4-(1-pyrrolidinyl)butyl] ester chloride IUPAC Name: S-(4-pyrrolidin-1-ylbutyl) 2-cyclohex-2-en-1-yl-2-phenylethanethioate chloride Traditional Name: 2-cyclohex-2-en-1-yl-2-phenyl-ethanethioic acid S-(4-pyrrolidinobutyl) ester chloride Formula: C22H31ClNOS- MolecularWeight: 393.00564

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCCSC(=O)C(C2CCCC=C2)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

C1CCN(C1)CCCCSC(=O)C(C2CCCC=C2)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C22H31NOS.ClH/c24-22(25-18-10-9-17-23-15-7-8-16-23)21(19-11-3-1-4-12-19)20-13-5-2-6-14-20;/h1,3-5,11-13,20-21H,2,6-10,14-18H2;1H/p-1