2-[4-[4-[(2,4-dimethoxyphenyl)amino]quinazolin-2-yl]piperazin-1-ium-1-yl]ethanol

Systemtic Name: 2-[4-[4-[(2,4-dimethoxyphenyl)amino]quinazolin-2-yl]piperazin-1-ium-1-yl]ethanol Openeye Name: 2-[4-[4-(2,4-dimethoxyanilino)quinazolin-2-yl]piperazin-1-ium-1-yl]ethanol CAS Name: 2-[4-[4-(2,4-dimethoxyanilino)-2-quinazolinyl]-1-piperazin-1-iumyl]ethanol IUPAC Name: 2-[4-[4-(2,4-dimethoxyanilino)quinazolin-2-yl]piperazin-1-ium-1-yl]ethanol Traditional Name: 2-[4-[4-(2,4-dimethoxyanilino)quinazolin-2-yl]piperazin-1-ium-1-yl]ethanol Formula: C22H28N5O3+ MolecularWeight: 410.48942

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC2=NC(=NC3=CC=CC=C32)N4CC[NH+](CC4)CCO)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC2=NC(=NC3=CC=CC=C32)N4CC[NH+](CC4)CCO)OC

InChI

InChI=1S/C22H27N5O3/c1-29-16-7-8-19(20(15-16)30-2)23-21-17-5-3-4-6-18(17)24-22(25-21)27-11-9-26(10-12-27)13-14-28/h3-8,15,28H,9-14H2,1-2H3,(H,23,24,25)/p+1