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

Systemtic Name: ethyl 4-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(4-keto-1,2,3-benzotriazin-3-yl)methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C15H20N5O3+ MolecularWeight: 318.351

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C15H19N5O3/c1-2-23-15(22)19-9-7-18(8-10-19)11-20-14(21)12-5-3-4-6-13(12)16-17-20/h3-6H,2,7-11H2,1H3/p+1