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

Systemtic Name: methyl 4-[4-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]butoxy]benzoate Openeye Name: methyl 4-[4-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]butoxy]benzoate CAS Name: 4-[4-[(2S,6S)-2,6-dimethyl-4-morpholin-4-iumyl]butoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]butoxy]benzoate Traditional Name: 4-[4-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]butoxy]benzoic acid methyl ester Formula: C18H28NO4+ MolecularWeight: 322.41922

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC(O1)C)CCCCOC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

C[C@H]1C[NH+](C[C@@H](O1)C)CCCCOC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C18H27NO4/c1-14-12-19(13-15(2)23-14)10-4-5-11-22-17-8-6-16(7-9-17)18(20)21-3/h6-9,14-15H,4-5,10-13H2,1-3H3/p+1/t14-,15-/m0/s1