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

Systemtic Name: 1-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]ethanone Openeye Name: 1-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-[4-(2-furoyl)piperazin-1-ium-1-yl]ethanone Formula: C24H28N3O3+ MolecularWeight: 406.49742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CO4

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C24H27N3O3/c1-18-15-21(19(2)27(18)16-20-7-4-3-5-8-20)22(28)17-25-10-12-26(13-11-25)24(29)23-9-6-14-30-23/h3-9,14-15H,10-13,16-17H2,1-2H3/p+1