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

Systemtic Name: (4-pyridin-1-ium-2-ylpiperazin-1-yl)-[2-(3,4,5-trimethoxyphenyl)quinolin-4-yl]methanone Openeye Name: (4-pyridin-1-ium-2-ylpiperazin-1-yl)-[2-(3,4,5-trimethoxyphenyl)-4-quinolyl]methanone CAS Name: [4-(2-pyridin-1-iumyl)-1-piperazinyl]-[2-(3,4,5-trimethoxyphenyl)-4-quinolinyl]methanone IUPAC Name: (4-pyridin-1-ium-2-ylpiperazin-1-yl)-[2-(3,4,5-trimethoxyphenyl)quinolin-4-yl]methanone Traditional Name: (4-pyridin-1-ium-2-ylpiperazino)-[2-(3,4,5-trimethoxyphenyl)-4-quinolyl]methanone Formula: C28H29N4O4+ MolecularWeight: 485.55426

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C28H28N4O4/c1-34-24-16-19(17-25(35-2)27(24)36-3)23-18-21(20-8-4-5-9-22(20)30-23)28(33)32-14-12-31(13-15-32)26-10-6-7-11-29-26/h4-11,16-18H,12-15H2,1-3H3/p+1