1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-ethanoylpiperazin-1-ium-1-yl)ethanone

Systemtic Name: 1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-ethanoylpiperazin-1-ium-1-yl)ethanone Openeye Name: 2-(4-acetylpiperazin-1-ium-1-yl)-1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]ethanone CAS Name: 2-(4-acetyl-1-piperazin-1-iumyl)-1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-3-pyrrolyl]ethanone IUPAC Name: 2-(4-acetylpiperazin-1-ium-1-yl)-1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]ethanone Traditional Name: 2-(4-acetylpiperazin-1-ium-1-yl)-1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]ethanone Formula: C21H26N3O4+ MolecularWeight: 384.44884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C(=O)C[NH+]4CCN(CC4)C(=O)C

Isomeric SMILES

CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C(=O)C[NH+]4CCN(CC4)C(=O)C

InChI

InChI=1S/C21H25N3O4/c1-14-10-18(19(26)12-22-6-8-23(9-7-22)16(3)25)15(2)24(14)17-4-5-20-21(11-17)28-13-27-20/h4-5,10-11H,6-9,12-13H2,1-3H3/p+1