6,7-dimethoxy-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-(trifluoromethyl)quinazoline

Systemtic Name: 6,7-dimethoxy-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-(trifluoromethyl)quinazoline Openeye Name: 6,7-dimethoxy-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-(trifluoromethyl)quinazoline CAS Name: 6,7-dimethoxy-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-2-(trifluoromethyl)quinazoline IUPAC Name: 6,7-dimethoxy-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-(trifluoromethyl)quinazoline Traditional Name: 6,7-dimethoxy-4-(4-pyridin-1-ium-2-ylpiperazino)-2-(trifluoromethyl)quinazoline Formula: C20H21F3N5O2+ MolecularWeight: 420.40825

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)C(F)(F)F)N3CCN(CC3)C4=CC=CC=[NH+]4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)C(F)(F)F)N3CCN(CC3)C4=CC=CC=[NH+]4)OC

InChI

InChI=1S/C20H20F3N5O2/c1-29-15-11-13-14(12-16(15)30-2)25-19(20(21,22)23)26-18(13)28-9-7-27(8-10-28)17-5-3-4-6-24-17/h3-6,11-12H,7-10H2,1-2H3/p+1