[(1S)-1-phenylethyl]azanium; (1S)-2,2,4-trimethylcyclohex-3-ene-1-carboxylate

Systemtic Name: [(1S)-1-phenylethyl]azanium; (1S)-2,2,4-trimethylcyclohex-3-ene-1-carboxylate Openeye Name: [(1S)-1-phenylethyl]ammonium; (1S)-2,2,4-trimethylcyclohex-3-ene-1-carboxylate CAS Name: [(1S)-1-phenylethyl]ammonium; (1S)-2,2,4-trimethyl-1-cyclohex-3-enecarboxylate IUPAC Name: [(1S)-1-phenylethyl]azanium; (1S)-2,2,4-trimethylcyclohex-3-ene-1-carboxylate Traditional Name: [(1S)-1-phenylethyl]ammonium; (1S)-2,2,4-trimethylcyclohex-3-ene-1-carboxylate Formula: C18H27NO2 MolecularWeight: 289.41248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(C(CC1)C(=O)[O-])(C)C.CC(C1=CC=CC=C1)[NH3+]

Isomeric SMILES

CC1=CC([C@H](CC1)C(=O)[O-])(C)C.C[C@@H](C1=CC=CC=C1)[NH3+]

InChI

InChI=1S/C10H16O2.C8H11N/c1-7-4-5-8(9(11)12)10(2,3)6-7;1-7(9)8-5-3-2-4-6-8/h6,8H,4-5H2,1-3H3,(H,11,12);2-7H,9H2,1H3/t8-;7-/m10/s1