N-[2-(3-morpholin-4-ium-4-ylpropylcarbamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-[2-(3-morpholin-4-ium-4-ylpropylcarbamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[2-(3-morpholin-4-ium-4-ylpropylcarbamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[2-[[3-(4-morpholin-4-iumyl)propylamino]-oxomethyl]phenyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[2-(3-morpholin-4-ium-4-ylpropylcarbamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[2-(3-morpholin-4-ium-4-ylpropylcarbamoyl)phenyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C23H28N3O5+ MolecularWeight: 426.48552

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=O)C2=CC=CC=C2NC(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1COCC[NH+]1CCCNC(=O)C2=CC=CC=C2NC(=O)C3=CC4=C(C=C3)OCCO4

InChI

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