[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: [2-(1,3-benzodioxol-5-yl)quinolin-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: [2-(1,3-benzodioxol-5-yl)-4-quinolyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [2-(1,3-benzodioxol-5-yl)-4-quinolinyl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [2-(1,3-benzodioxol-5-yl)quinolin-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: [2-(1,3-benzodioxol-5-yl)-4-quinolyl]-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C26H23N4O3+ MolecularWeight: 439.48582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C26H22N4O3/c31-26(30-13-11-29(12-14-30)25-7-3-4-10-27-25)20-16-22(28-21-6-2-1-5-19(20)21)18-8-9-23-24(15-18)33-17-32-23/h1-10,15-16H,11-14,17H2/p+1