[2-(3,4-dimethoxyphenyl)quinolin-4-yl]-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [2-(3,4-dimethoxyphenyl)quinolin-4-yl]-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: [2-(3,4-dimethoxyphenyl)-4-quinolyl]-[4-(2-pyridylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [2-(3,4-dimethoxyphenyl)-4-quinolinyl]-[4-(2-pyridinylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: [2-(3,4-dimethoxyphenyl)quinolin-4-yl]-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: [2-(3,4-dimethoxyphenyl)-4-quinolyl]-[4-(2-pyridylmethyl)piperazin-4-ium-1-yl]methanone Formula: C28H29N4O3+ MolecularWeight: 469.55486

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CC[NH+](CC4)CC5=CC=CC=N5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CC[NH+](CC4)CC5=CC=CC=N5)OC

InChI

InChI=1S/C28H28N4O3/c1-34-26-11-10-20(17-27(26)35-2)25-18-23(22-8-3-4-9-24(22)30-25)28(33)32-15-13-31(14-16-32)19-21-7-5-6-12-29-21/h3-12,17-18H,13-16,19H2,1-2H3/p+1