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

Systemtic Name: [2-(4-propylphenyl)quinolin-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: [2-(4-propylphenyl)-4-quinolyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [2-(4-propylphenyl)-4-quinolinyl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [2-(4-propylphenyl)quinolin-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: [2-(4-propylphenyl)-4-quinolyl]-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C28H29N4O+ MolecularWeight: 437.55606

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C28H28N4O/c1-2-7-21-11-13-22(14-12-21)26-20-24(23-8-3-4-9-25(23)30-26)28(33)32-18-16-31(17-19-32)27-10-5-6-15-29-27/h3-6,8-15,20H,2,7,16-19H2,1H3/p+1