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

Systemtic Name: ethyl 4-[[4-azanyl-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[[4-amino-6-(o-toluidino)-s-triazin-2-yl]methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C18H26N7O2+ MolecularWeight: 372.44474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=NC(=NC(=N2)NC3=CC=CC=C3C)N

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=NC(=NC(=N2)NC3=CC=CC=C3C)N

InChI

InChI=1S/C18H25N7O2/c1-3-27-18(26)25-10-8-24(9-11-25)12-15-21-16(19)23-17(22-15)20-14-7-5-4-6-13(14)2/h4-7H,3,8-12H2,1-2H3,(H3,19,20,21,22,23)/p+1