methyl 4-[3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propoxy]benzoate

Systemtic Name: methyl 4-[3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propoxy]benzoate Openeye Name: methyl 4-[3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propoxy]benzoate CAS Name: 4-[3-[(2S,6S)-2,6-dimethyl-4-morpholin-4-iumyl]propoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propoxy]benzoate Traditional Name: 4-[3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propoxy]benzoic acid methyl ester Formula: C17H26NO4+ MolecularWeight: 308.39264

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC(O1)C)CCCOC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

C[C@H]1C[NH+](C[C@@H](O1)C)CCCOC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C17H25NO4/c1-13-11-18(12-14(2)22-13)9-4-10-21-16-7-5-15(6-8-16)17(19)20-3/h5-8,13-14H,4,9-12H2,1-3H3/p+1/t13-,14-/m0/s1