ethyl 1-[(1R)-1-(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(1R)-1-(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(1R)-1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(1R)-1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(1R)-1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1R)-1-(4-amino-6-anilino-s-triazin-2-yl)ethyl]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)C(C)C2=NC(=NC(=N2)NC3=CC=CC=C3)N

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)[C@H](C)C2=NC(=NC(=N2)NC3=CC=CC=C3)N

InChI

InChI=1S/C19H26N6O2/c1-3-27-17(26)14-9-11-25(12-10-14)13(2)16-22-18(20)24-19(23-16)21-15-7-5-4-6-8-15/h4-8,13-14H,3,9-12H2,1-2H3,(H3,20,21,22,23,24)/p+1/t13-/m1/s1