[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-[(3S)-thiolan-3-yl]azanium

Systemtic Name: [(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-[(3S)-thiolan-3-yl]azanium Openeye Name: [(1R)-5-hydroxy-1,5-dimethyl-hexyl]-[(3S)-tetrahydrothiophen-3-yl]ammonium CAS Name: [(2R)-6-hydroxy-6-methylheptan-2-yl]-[(3S)-3-thiolanyl]ammonium IUPAC Name: [(2R)-6-hydroxy-6-methylheptan-2-yl]-[(3S)-thiolan-3-yl]azanium Traditional Name: [(1R)-5-hydroxy-1,5-dimethyl-hexyl]-[(3S)-tetrahydrothiophen-3-yl]ammonium Formula: C12H26NOS+ MolecularWeight: 232.40594

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(C)(C)O)[NH2+]C1CCSC1

Isomeric SMILES

C[C@H](CCCC(C)(C)O)[NH2+][C@H]1CCSC1

InChI

InChI=1S/C12H25NOS/c1-10(5-4-7-12(2,3)14)13-11-6-8-15-9-11/h10-11,13-14H,4-9H2,1-3H3/p+1/t10-,11+/m1/s1