[2-(4-methylphenyl)quinolin-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: [2-(4-methylphenyl)quinolin-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: [2-(p-tolyl)-4-quinolyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [2-(4-methylphenyl)-4-quinolinyl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [2-(4-methylphenyl)quinolin-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: [2-(p-tolyl)-4-quinolyl]-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C26H25N4O+ MolecularWeight: 409.5029

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C26H24N4O/c1-19-9-11-20(12-10-19)24-18-22(21-6-2-3-7-23(21)28-24)26(31)30-16-14-29(15-17-30)25-8-4-5-13-27-25/h2-13,18H,14-17H2,1H3/p+1