methyl 4-[(2R)-3-cyclohexyl-3,4-dihydro-2H-1,3-benzoxazin-3-ium-2-yl]benzoate

Systemtic Name: methyl 4-[(2R)-3-cyclohexyl-3,4-dihydro-2H-1,3-benzoxazin-3-ium-2-yl]benzoate Openeye Name: methyl 4-[(2R)-3-cyclohexyl-3,4-dihydro-2H-1,3-benzoxazin-3-ium-2-yl]benzoate CAS Name: 4-[(2R)-3-cyclohexyl-3,4-dihydro-2H-1,3-benzoxazin-3-ium-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2R)-3-cyclohexyl-3,4-dihydro-2H-1,3-benzoxazin-3-ium-2-yl]benzoate Traditional Name: 4-[(2R)-3-cyclohexyl-3,4-dihydro-2H-1,3-benzoxazin-3-ium-2-yl]benzoic acid methyl ester Formula: C22H26NO3+ MolecularWeight: 352.44674

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2[NH+](CC3=CC=CC=C3O2)C4CCCCC4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)[C@@H]2[NH+](CC3=CC=CC=C3O2)C4CCCCC4

InChI

InChI=1S/C22H25NO3/c1-25-22(24)17-13-11-16(12-14-17)21-23(19-8-3-2-4-9-19)15-18-7-5-6-10-20(18)26-21/h5-7,10-14,19,21H,2-4,8-9,15H2,1H3/p+1/t21-/m1/s1