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

Systemtic Name: 2-acetyloxybenzoate; [(1R,6S)-6-ethoxycarbonyl-6-phenyl-cyclohex-2-en-1-yl]-trimethyl-azanium Openeye Name: 2-acetoxybenzoate; [(1R,6S)-6-ethoxycarbonyl-6-phenyl-cyclohex-2-en-1-yl]-trimethyl-ammonium CAS Name: 2-acetyloxybenzoate; [(1R,6S)-6-ethoxycarbonyl-6-phenyl-1-cyclohex-2-enyl]-trimethylammonium IUPAC Name: 2-acetyloxybenzoate; [(1R,6S)-6-ethoxycarbonyl-6-phenylcyclohex-2-en-1-yl]-trimethylazanium Traditional Name: 2-acetoxybenzoate; [(1R,6S)-6-carbethoxy-6-phenyl-cyclohex-2-en-1-yl]-trimethyl-ammonium Formula: C27H33NO6 MolecularWeight: 467.55402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC=CC1[N+](C)(C)C)C2=CC=CC=C2.CC(=O)OC1=CC=CC=C1C(=O)[O-]

Isomeric SMILES

CCOC(=O)[C@@]1(CCC=C[C@H]1[N+](C)(C)C)C2=CC=CC=C2.CC(=O)OC1=CC=CC=C1C(=O)[O-]

InChI

InChI=1S/C18H26NO2.C9H8O4/c1-5-21-17(20)18(15-11-7-6-8-12-15)14-10-9-13-16(18)19(2,3)4;1-6(10)13-8-5-3-2-4-7(8)9(11)12/h6-9,11-13,16H,5,10,14H2,1-4H3;2-5H,1H3,(H,11,12)/q+1;/p-1/t16-,18+;/m1./s1