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

Systemtic Name: [2-(3,4-dimethoxyphenyl)quinolin-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: [2-(3,4-dimethoxyphenyl)-4-quinolyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [2-(3,4-dimethoxyphenyl)-4-quinolinyl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [2-(3,4-dimethoxyphenyl)quinolin-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: [2-(3,4-dimethoxyphenyl)-4-quinolyl]-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C27H27N4O3+ MolecularWeight: 455.52828

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)C5=CC=CC=[NH+]5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)C5=CC=CC=[NH+]5)OC

InChI

InChI=1S/C27H26N4O3/c1-33-24-11-10-19(17-25(24)34-2)23-18-21(20-7-3-4-8-22(20)29-23)27(32)31-15-13-30(14-16-31)26-9-5-6-12-28-26/h3-12,17-18H,13-16H2,1-2H3/p+1