N-(1,3-benzodioxol-4-ylmethyl)-N-(2-morpholin-4-ium-4-ylethyl)quinoline-2-carboxamide

Systemtic Name: N-(1,3-benzodioxol-4-ylmethyl)-N-(2-morpholin-4-ium-4-ylethyl)quinoline-2-carboxamide Openeye Name: N-(1,3-benzodioxol-4-ylmethyl)-N-(2-morpholin-4-ium-4-ylethyl)quinoline-2-carboxamide CAS Name: N-(1,3-benzodioxol-4-ylmethyl)-N-[2-(4-morpholin-4-iumyl)ethyl]-2-quinolinecarboxamide IUPAC Name: N-(1,3-benzodioxol-4-ylmethyl)-N-(2-morpholin-4-ium-4-ylethyl)quinoline-2-carboxamide Traditional Name: N-(1,3-benzodioxol-4-ylmethyl)-N-(2-morpholin-4-ium-4-ylethyl)quinaldamide Formula: C24H26N3O4+ MolecularWeight: 420.48094

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCN(CC2=C3C(=CC=C2)OCO3)C(=O)C4=NC5=CC=CC=C5C=C4

Isomeric SMILES

C1COCC[NH+]1CCN(CC2=C3C(=CC=C2)OCO3)C(=O)C4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C24H25N3O4/c28-24(21-9-8-18-4-1-2-6-20(18)25-21)27(11-10-26-12-14-29-15-13-26)16-19-5-3-7-22-23(19)31-17-30-22/h1-9H,10-17H2/p+1