[(1R,6S)-6-ethoxycarbonyl-6-phenyl-cyclohex-2-en-1-yl]-trimethyl-azanium; 2-oxidanylbenzoate

Systemtic Name: [(1R,6S)-6-ethoxycarbonyl-6-phenyl-cyclohex-2-en-1-yl]-trimethyl-azanium; 2-oxidanylbenzoate Openeye Name: [(1R,6S)-6-ethoxycarbonyl-6-phenyl-cyclohex-2-en-1-yl]-trimethyl-ammonium; 2-hydroxybenzoate CAS Name: [(1R,6S)-6-ethoxycarbonyl-6-phenyl-1-cyclohex-2-enyl]-trimethylammonium; 2-hydroxybenzoate IUPAC Name: [(1R,6S)-6-ethoxycarbonyl-6-phenylcyclohex-2-en-1-yl]-trimethylazanium; 2-hydroxybenzoate Traditional Name: [(1R,6S)-6-carbethoxy-6-phenyl-cyclohex-2-en-1-yl]-trimethyl-ammonium; salicylate Formula: C25H31NO5 MolecularWeight: 425.51734

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC=CC1[N+](C)(C)C)C2=CC=CC=C2.C1=CC=C(C(=C1)C(=O)[O-])O

Isomeric SMILES

CCOC(=O)[C@@]1(CCC=C[C@H]1[N+](C)(C)C)C2=CC=CC=C2.C1=CC=C(C(=C1)C(=O)[O-])O

InChI

InChI=1S/C18H26NO2.C7H6O3/c1-5-21-17(20)18(15-11-7-6-8-12-15)14-10-9-13-16(18)19(2,3)4;8-6-4-2-1-3-5(6)7(9)10/h6-9,11-13,16H,5,10,14H2,1-4H3;1-4,8H,(H,9,10)/q+1;/p-1/t16-,18+;/m1./s1