dicyclohexylazanium; (2R,5S)-2-ethyl-2-methyl-5-oxidanyl-hexanoate

Systemtic Name: dicyclohexylazanium; (2R,5S)-2-ethyl-2-methyl-5-oxidanyl-hexanoate Openeye Name: dicyclohexylammonium; (2R,5S)-2-ethyl-5-hydroxy-2-methyl-hexanoate CAS Name: dicyclohexylammonium; (2R,5S)-2-ethyl-5-hydroxy-2-methylhexanoate IUPAC Name: dicyclohexylazanium; (2R,5S)-2-ethyl-5-hydroxy-2-methylhexanoate Traditional Name: dicyclohexylammonium; (2R,5S)-2-ethyl-5-hydroxy-2-methyl-hexanoate Formula: C21H41NO3 MolecularWeight: 355.55514

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CCC(C)O)C(=O)[O-].C1CCC(CC1)[NH2+]C2CCCCC2

Isomeric SMILES

CC[C@](C)(CC[C@H](C)O)C(=O)[O-].C1CCC(CC1)[NH2+]C2CCCCC2

InChI

InChI=1S/C12H23N.C9H18O3/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-4-9(3,8(11)12)6-5-7(2)10/h11-13H,1-10H2;7,10H,4-6H2,1-3H3,(H,11,12)/t;7-,9+/m.0/s1