3-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4-oxidanylidene-butyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4-oxidanylidene-butyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4-oxo-butyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-4-oxobutyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4-oxobutyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[4-keto-4-(4-piperonylpiperazin-4-ium-1-yl)butyl]-1,2,3-benzotriazin-4-one Formula: C23H26N5O4+ MolecularWeight: 436.48364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)CCCN4C(=O)C5=CC=CC=C5N=N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)CCCN4C(=O)C5=CC=CC=C5N=N4

InChI

InChI=1S/C23H25N5O4/c29-22(6-3-9-28-23(30)18-4-1-2-5-19(18)24-25-28)27-12-10-26(11-13-27)15-17-7-8-20-21(14-17)32-16-31-20/h1-2,4-5,7-8,14H,3,6,9-13,15-16H2/p+1