[(Z)-[(2S)-2-morpholin-4-ium-4-ylcyclohexylidene]-phenyl-methyl] benzoate

Systemtic Name: [(Z)-[(2S)-2-morpholin-4-ium-4-ylcyclohexylidene]-phenyl-methyl] benzoate Openeye Name: [(Z)-[(2S)-2-morpholin-4-ium-4-ylcyclohexylidene]-phenyl-methyl] benzoate CAS Name: benzoic acid [(Z)-[(2S)-2-(4-morpholin-4-iumyl)cyclohexylidene]-phenylmethyl] ester IUPAC Name: [(Z)-[(2S)-2-morpholin-4-ium-4-ylcyclohexylidene]-phenylmethyl] benzoate Traditional Name: benzoic acid [(Z)-[(2S)-2-morpholin-4-ium-4-ylcyclohexylidene]-phenyl-methyl] ester Formula: C24H28NO3+ MolecularWeight: 378.48402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=C(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)C(C1)[NH+]4CCOCC4

Isomeric SMILES

C1CC/C(=C(\C2=CC=CC=C2)/OC(=O)C3=CC=CC=C3)/[C@H](C1)[NH+]4CCOCC4

InChI

InChI=1S/C24H27NO3/c26-24(20-11-5-2-6-12-20)28-23(19-9-3-1-4-10-19)21-13-7-8-14-22(21)25-15-17-27-18-16-25/h1-6,9-12,22H,7-8,13-18H2/p+1/b23-21-/t22-/m0/s1