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

Systemtic Name: ethyl 4-[[4-azanyl-6-[(4-ethylphenyl)amino]-1,3,5-triazin-2-yl]methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[[4-amino-6-(4-ethylanilino)-1,3,5-triazin-2-yl]methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[[4-amino-6-(4-ethylanilino)-1,3,5-triazin-2-yl]methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-amino-6-(4-ethylanilino)-1,3,5-triazin-2-yl]methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[[4-amino-6-(4-ethylanilino)-s-triazin-2-yl]methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C19H28N7O2+ MolecularWeight: 386.47132

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)C[NH+]3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)C[NH+]3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C19H27N7O2/c1-3-14-5-7-15(8-6-14)21-18-23-16(22-17(20)24-18)13-25-9-11-26(12-10-25)19(27)28-4-2/h5-8H,3-4,9-13H2,1-2H3,(H3,20,21,22,23,24)/p+1