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

Systemtic Name: ethyl (3S)-1-[(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(4-amino-6-anilino-s-triazin-2-yl)methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C18H25N6O2+ MolecularWeight: 357.4301

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC2=NC(=NC(=N2)NC3=CC=CC=C3)N

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC2=NC(=NC(=N2)NC3=CC=CC=C3)N

InChI

InChI=1S/C18H24N6O2/c1-2-26-16(25)13-7-6-10-24(11-13)12-15-21-17(19)23-18(22-15)20-14-8-4-3-5-9-14/h3-5,8-9,13H,2,6-7,10-12H2,1H3,(H3,19,20,21,22,23)/p+1/t13-/m0/s1