[6-bromanyl-2-(4-ethoxyphenyl)quinolin-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: [6-bromanyl-2-(4-ethoxyphenyl)quinolin-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: [6-bromo-2-(4-ethoxyphenyl)-4-quinolyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [6-bromo-2-(4-ethoxyphenyl)-4-quinolinyl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [6-bromo-2-(4-ethoxyphenyl)quinolin-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: (6-bromo-2-p-phenetyl-4-quinolyl)-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C27H26BrN4O2+ MolecularWeight: 518.42494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C27H25BrN4O2/c1-2-34-21-9-6-19(7-10-21)25-18-23(22-17-20(28)8-11-24(22)30-25)27(33)32-15-13-31(14-16-32)26-5-3-4-12-29-26/h3-12,17-18H,2,13-16H2,1H3/p+1