2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]quinoline-4-carboxamide

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]quinoline-4-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carboxamide CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-4-quinolinecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cinchoninamide Formula: C30H30N3O3+ MolecularWeight: 480.5775

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCCO5)CC6=CC=CC=C6

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCCO5)CC6=CC=CC=C6

InChI

InChI=1S/C30H29N3O3/c34-30(31-23-12-14-33(15-13-23)20-21-6-2-1-3-7-21)25-19-27(32-26-9-5-4-8-24(25)26)22-10-11-28-29(18-22)36-17-16-35-28/h1-11,18-19,23H,12-17,20H2,(H,31,34)/p+1