3-[[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[4-(1-naphthylmethyl)piperazine-1,4-diium-1-yl]methyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[4-(1-naphthalenylmethyl)-1-piperazine-1,4-diiumyl]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[4-(1-naphthylmethyl)piperazine-1,4-diium-1-yl]methyl]-1,2,3-benzotriazin-4-one Formula: C23H25N5O+2 MolecularWeight: 387.4775

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=CC3=CC=CC=C32)CN4C(=O)C5=CC=CC=C5N=N4

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=CC3=CC=CC=C32)CN4C(=O)C5=CC=CC=C5N=N4

InChI

InChI=1S/C23H23N5O/c29-23-21-10-3-4-11-22(21)24-25-28(23)17-27-14-12-26(13-15-27)16-19-8-5-7-18-6-1-2-9-20(18)19/h1-11H,12-17H2/p+2