[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]-phenyl-methanone

Systemtic Name: [2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]-phenyl-methanone Openeye Name: [2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]-phenyl-methanone CAS Name: [2-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]phenyl]-phenylmethanone IUPAC Name: [2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]-phenylmethanone Traditional Name: phenyl-[2-(4-piperonylpiperazin-4-ium-1-carbonyl)phenyl]methanone Formula: C26H25N2O4+ MolecularWeight: 429.4877

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CC=C4C(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CC=C4C(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H24N2O4/c29-25(20-6-2-1-3-7-20)21-8-4-5-9-22(21)26(30)28-14-12-27(13-15-28)17-19-10-11-23-24(16-19)32-18-31-23/h1-11,16H,12-15,17-18H2/p+1