2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]-1-[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]ethanone

Systemtic Name: 2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]-1-[1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]ethanone Openeye Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-1-[1-(2-furylmethyl)-2,5-dimethyl-pyrrol-3-yl]ethanone CAS Name: 2-[4-(4-acetylphenyl)-1-piperazin-1-iumyl]-1-[1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolyl]ethanone IUPAC Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]ethanone Traditional Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-1-[1-(2-furfuryl)-2,5-dimethyl-pyrrol-3-yl]ethanone Formula: C25H30N3O3+ MolecularWeight: 420.524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)C(=O)C

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)C(=O)C

InChI

InChI=1S/C25H29N3O3/c1-18-15-24(19(2)28(18)16-23-5-4-14-31-23)25(30)17-26-10-12-27(13-11-26)22-8-6-21(7-9-22)20(3)29/h4-9,14-15H,10-13,16-17H2,1-3H3/p+1