1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-naphthalen-1-yl-ethanone

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-naphthalen-1-yl-ethanone Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-(1-naphthyl)ethanone CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-2-(1-naphthalenyl)ethanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-naphthalen-1-ylethanone Traditional Name: 2-(1-naphthyl)-1-(4-piperonylpiperazin-4-ium-1-yl)ethanone Formula: C24H25N2O3+ MolecularWeight: 389.4669

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C24H24N2O3/c27-24(15-20-6-3-5-19-4-1-2-7-21(19)20)26-12-10-25(11-13-26)16-18-8-9-22-23(14-18)29-17-28-22/h1-9,14H,10-13,15-17H2/p+1