N-(4-bromanyl-2-fluoranyl-phenyl)-6-methoxy-7-(piperidin-1-ium-4-ylmethoxy)quinazolin-4-amine

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-6-methoxy-7-(piperidin-1-ium-4-ylmethoxy)quinazolin-4-amine Openeye Name: N-(4-bromo-2-fluoro-phenyl)-6-methoxy-7-(piperidin-1-ium-4-ylmethoxy)quinazolin-4-amine CAS Name: N-(4-bromo-2-fluorophenyl)-6-methoxy-7-(4-piperidin-1-iumylmethoxy)-4-quinazolinamine IUPAC Name: N-(4-bromo-2-fluorophenyl)-6-methoxy-7-(piperidin-1-ium-4-ylmethoxy)quinazolin-4-amine Traditional Name: (4-bromo-2-fluoro-phenyl)-[6-methoxy-7-(piperidin-1-ium-4-ylmethoxy)quinazolin-4-yl]amine Formula: C21H23BrFN4O2+ MolecularWeight: 462.335323

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C=C(C=C3)Br)F)OCC4CC[NH2+]CC4

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C=C(C=C3)Br)F)OCC4CC[NH2+]CC4

InChI

InChI=1S/C21H22BrFN4O2/c1-28-19-9-15-18(10-20(19)29-11-13-4-6-24-7-5-13)25-12-26-21(15)27-17-3-2-14(22)8-16(17)23/h2-3,8-10,12-13,24H,4-7,11H2,1H3,(H,25,26,27)/p+1