2-[4-(4-ethylpiperazin-4-ium-1-yl)quinazolin-2-yl]-6-methoxy-phenolate

Systemtic Name: 2-[4-(4-ethylpiperazin-4-ium-1-yl)quinazolin-2-yl]-6-methoxy-phenolate Openeye Name: 2-[4-(4-ethylpiperazin-4-ium-1-yl)quinazolin-2-yl]-6-methoxy-phenolate CAS Name: 2-[4-(4-ethyl-1-piperazin-4-iumyl)-2-quinazolinyl]-6-methoxyphenolate IUPAC Name: 2-[4-(4-ethylpiperazin-4-ium-1-yl)quinazolin-2-yl]-6-methoxyphenolate Traditional Name: 2-[4-(4-ethylpiperazin-4-ium-1-yl)quinazolin-2-yl]-6-methoxy-phenolate Formula: C21H24N4O2 MolecularWeight: 364.44086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC(=NC3=CC=CC=C32)C4=C(C(=CC=C4)OC)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC(=NC3=CC=CC=C32)C4=C(C(=CC=C4)OC)[O-]

InChI

InChI=1S/C21H24N4O2/c1-3-24-11-13-25(14-12-24)21-15-7-4-5-9-17(15)22-20(23-21)16-8-6-10-18(27-2)19(16)26/h4-10,26H,3,11-14H2,1-2H3