(3R)-N-[4-(3-morpholin-4-ium-4-ylpropylcarbamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: (3R)-N-[4-(3-morpholin-4-ium-4-ylpropylcarbamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3R)-N-[4-(3-morpholin-4-ium-4-ylpropylcarbamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3R)-N-[4-[[3-(4-morpholin-4-iumyl)propylamino]-oxomethyl]phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3R)-N-[4-(3-morpholin-4-ium-4-ylpropylcarbamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3R)-N-[4-(3-morpholin-4-ium-4-ylpropylcarbamoyl)phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C23H28N3O5+ MolecularWeight: 426.48552

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=O)C2=CC=C(C=C2)NC(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

C1COCC[NH+]1CCCNC(=O)C2=CC=C(C=C2)NC(=O)[C@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C23H27N3O5/c27-22(24-10-3-11-26-12-14-29-15-13-26)17-6-8-18(9-7-17)25-23(28)21-16-30-19-4-1-2-5-20(19)31-21/h1-2,4-9,21H,3,10-16H2,(H,24,27)(H,25,28)/p+1/t21-/m1/s1