N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(2R,5S)-5-ethyl-2-methyl-morpholin-4-ium-4-yl]ethanamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(2R,5S)-5-ethyl-2-methyl-morpholin-4-ium-4-yl]ethanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(2R,5S)-5-ethyl-2-methyl-morpholin-4-ium-4-yl]acetamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(2R,5S)-5-ethyl-2-methyl-4-morpholin-4-iumyl]acetamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(2R,5S)-5-ethyl-2-methylmorpholin-4-ium-4-yl]acetamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(2R,5S)-5-ethyl-2-methyl-morpholin-4-ium-4-yl]acetamide Formula: C18H27N2O4+ MolecularWeight: 335.41798

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Descriptors Computed from Structure

Canonical SMILES:

CCC1COC(C[NH+]1CC(=O)NC2=CC3=C(C=C2)OCCCO3)C

Isomeric SMILES

CC[C@H]1CO[C@@H](C[NH+]1CC(=O)NC2=CC3=C(C=C2)OCCCO3)C

InChI

InChI=1S/C18H26N2O4/c1-3-15-12-24-13(2)10-20(15)11-18(21)19-14-5-6-16-17(9-14)23-8-4-7-22-16/h5-6,9,13,15H,3-4,7-8,10-12H2,1-2H3,(H,19,21)/p+1/t13-,15+/m1/s1