methyl 1-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(4-keto-1,2,3-benzotriazin-3-yl)methyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C15H19N4O3+ MolecularWeight: 303.33636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)CN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C15H18N4O3/c1-22-15(21)11-6-8-18(9-7-11)10-19-14(20)12-4-2-3-5-13(12)16-17-19/h2-5,11H,6-10H2,1H3/p+1