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

Systemtic Name: (3R)-N-[4-(2-morpholin-4-ium-4-ylethylcarbamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3R)-N-[4-(2-morpholin-4-ium-4-ylethylcarbamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3R)-N-[4-[[2-(4-morpholin-4-iumyl)ethylamino]-oxomethyl]phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3R)-N-[4-(2-morpholin-4-ium-4-ylethylcarbamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3R)-N-[4-(2-morpholin-4-ium-4-ylethylcarbamoyl)phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C22H26N3O5+ MolecularWeight: 412.45894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O5/c26-21(23-9-10-25-11-13-28-14-12-25)16-5-7-17(8-6-16)24-22(27)20-15-29-18-3-1-2-4-19(18)30-20/h1-8,20H,9-15H2,(H,23,26)(H,24,27)/p+1/t20-/m1/s1