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

Systemtic Name: 3-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]-1,2,3-benzotriazin-4-one Formula: C20H22N5O2+ MolecularWeight: 364.42098

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C20H21N5O2/c26-19(15-25-20(27)17-8-4-5-9-18(17)21-22-25)24-12-10-23(11-13-24)14-16-6-2-1-3-7-16/h1-9H,10-15H2/p+1