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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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