ethyl 4-[[4-azanyl-6-[(4-phenoxyphenyl)amino]-1,3,5-triazin-2-yl]methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[[4-azanyl-6-[(4-phenoxyphenyl)amino]-1,3,5-triazin-2-yl]methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[[4-amino-6-(4-phenoxyanilino)-1,3,5-triazin-2-yl]methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[[4-amino-6-(4-phenoxyanilino)-1,3,5-triazin-2-yl]methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-amino-6-(4-phenoxyanilino)-1,3,5-triazin-2-yl]methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[[4-amino-6-(4-phenoxyanilino)-s-triazin-2-yl]methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C23H28N7O3+ MolecularWeight: 450.51352

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=NC(=NC(=N2)NC3=CC=C(C=C3)OC4=CC=CC=C4)N

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=NC(=NC(=N2)NC3=CC=C(C=C3)OC4=CC=CC=C4)N

InChI

InChI=1S/C23H27N7O3/c1-2-32-23(31)30-14-12-29(13-15-30)16-20-26-21(24)28-22(27-20)25-17-8-10-19(11-9-17)33-18-6-4-3-5-7-18/h3-11H,2,12-16H2,1H3,(H3,24,25,26,27,28)/p+1