2-(1,3-benzodioxol-5-yl)-6-methoxy-N-(2-morpholin-4-ium-4-ylethyl)quinoline-4-carboxamide

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-6-methoxy-N-(2-morpholin-4-ium-4-ylethyl)quinoline-4-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-6-methoxy-N-(2-morpholin-4-ium-4-ylethyl)quinoline-4-carboxamide CAS Name: 2-(1,3-benzodioxol-5-yl)-6-methoxy-N-[2-(4-morpholin-4-iumyl)ethyl]-4-quinolinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-6-methoxy-N-(2-morpholin-4-ium-4-ylethyl)quinoline-4-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-6-methoxy-N-(2-morpholin-4-ium-4-ylethyl)cinchoninamide Formula: C24H26N3O5+ MolecularWeight: 436.48034

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(C=C2C(=O)NCC[NH+]3CCOCC3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(C=C2C(=O)NCC[NH+]3CCOCC3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H25N3O5/c1-29-17-3-4-20-18(13-17)19(24(28)25-6-7-27-8-10-30-11-9-27)14-21(26-20)16-2-5-22-23(12-16)32-15-31-22/h2-5,12-14H,6-11,15H2,1H3,(H,25,28)/p+1