(3R,4S)-2,5-dimethyl-4-pyrrolidin-1-yl-hexane-3-thiol

Systemtic Name: (3R,4S)-2,5-dimethyl-4-pyrrolidin-1-yl-hexane-3-thiol Openeye Name: (3R,4S)-2,5-dimethyl-4-pyrrolidin-1-yl-hexane-3-thiol CAS Name: (3R,4S)-2,5-dimethyl-4-(1-pyrrolidinyl)-3-hexanethiol IUPAC Name: (3R,4S)-2,5-dimethyl-4-pyrrolidin-1-ylhexane-3-thiol Traditional Name: (3R,4S)-2,5-dimethyl-4-pyrrolidino-hexane-3-thiol Formula: C12H25NS MolecularWeight: 215.3986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C(C)C)S)N1CCCC1

Isomeric SMILES

CC(C)[C@@H]([C@@H](C(C)C)S)N1CCCC1

InChI

InChI=1S/C12H25NS/c1-9(2)11(12(14)10(3)4)13-7-5-6-8-13/h9-12,14H,5-8H2,1-4H3/t11-,12+/m0/s1