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

Systemtic Name: ethyl 1-[[4-azanyl-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[4-amino-6-(p-toluidino)-s-triazin-2-yl]methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C19H27N6O2+ MolecularWeight: 371.45668

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=NC(=NC(=N2)NC3=CC=C(C=C3)C)N

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=NC(=NC(=N2)NC3=CC=C(C=C3)C)N

InChI

InChI=1S/C19H26N6O2/c1-3-27-17(26)14-8-10-25(11-9-14)12-16-22-18(20)24-19(23-16)21-15-6-4-13(2)5-7-15/h4-7,14H,3,8-12H2,1-2H3,(H3,20,21,22,23,24)/p+1