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

Systemtic Name: ethyl 4-[[4-azanyl-6-[(4-ethoxyphenyl)amino]-1,3,5-triazin-2-yl]methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[[4-amino-6-(4-ethoxyanilino)-1,3,5-triazin-2-yl]methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[[4-amino-6-(4-ethoxyanilino)-1,3,5-triazin-2-yl]methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-amino-6-(4-ethoxyanilino)-1,3,5-triazin-2-yl]methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[[4-amino-6-(p-phenetidino)-s-triazin-2-yl]methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C19H28N7O3+ MolecularWeight: 402.47072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)C[NH+]3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)C[NH+]3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C19H27N7O3/c1-3-28-15-7-5-14(6-8-15)21-18-23-16(22-17(20)24-18)13-25-9-11-26(12-10-25)19(27)29-4-2/h5-8H,3-4,9-13H2,1-2H3,(H3,20,21,22,23,24)/p+1