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

Systemtic Name: 1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-3-pyrrolyl]-2-[4-[cyclopropyl(oxo)methyl]-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]ethanone Formula: C23H28N3O4+ MolecularWeight: 410.48612

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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)C5CC5

Isomeric SMILES

CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C(=O)C[NH+]4CCN(CC4)C(=O)C5CC5

InChI

InChI=1S/C23H27N3O4/c1-15-11-19(16(2)26(15)18-5-6-21-22(12-18)30-14-29-21)20(27)13-24-7-9-25(10-8-24)23(28)17-3-4-17/h5-6,11-12,17H,3-4,7-10,13-14H2,1-2H3/p+1