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

Systemtic Name: ethyl 4-[[4-azanyl-6-[(4-methoxyphenyl)amino]-1,3,5-triazin-2-yl]methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[[4-amino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[[4-amino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-amino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[[4-amino-6-(p-anisidino)-s-triazin-2-yl]methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C18H26N7O3+ MolecularWeight: 388.44414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N7O3/c1-3-28-18(26)25-10-8-24(9-11-25)12-15-21-16(19)23-17(22-15)20-13-4-6-14(27-2)7-5-13/h4-7H,3,8-12H2,1-2H3,(H3,19,20,21,22,23)/p+1