N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(4-morpholin-4-iumyl)ethyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C22H27N2O5+ MolecularWeight: 399.46018

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=CC3=C(C=C2)OCCO3)[NH+]4CCOCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)C2=CC3=C(C=C2)OCCO3)[NH+]4CCOCC4

InChI

InChI=1S/C22H26N2O5/c1-26-18-5-2-16(3-6-18)19(24-8-10-27-11-9-24)15-23-22(25)17-4-7-20-21(14-17)29-13-12-28-20/h2-7,14,19H,8-13,15H2,1H3,(H,23,25)/p+1/t19-/m0/s1