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

Systemtic Name: 3-[3-oxidanylidene-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[3-(4-benzylpiperazin-4-ium-1-yl)-3-oxo-propyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[3-oxo-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]propyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[3-(4-benzylpiperazin-4-ium-1-yl)-3-oxopropyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[3-(4-benzylpiperazin-4-ium-1-yl)-3-keto-propyl]-1,2,3-benzotriazin-4-one Formula: C21H24N5O2+ MolecularWeight: 378.44756

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C21H23N5O2/c27-20(10-11-26-21(28)18-8-4-5-9-19(18)22-23-26)25-14-12-24(13-15-25)16-17-6-2-1-3-7-17/h1-9H,10-16H2/p+1