(2S)-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]-1-(2-methyl-1H-indol-3-yl)-2-phenyl-ethanone

Systemtic Name: (2S)-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]-1-(2-methyl-1H-indol-3-yl)-2-phenyl-ethanone Openeye Name: (2S)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-1-(2-methyl-1H-indol-3-yl)-2-phenyl-ethanone CAS Name: (2S)-2-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]-1-(2-methyl-1H-indol-3-yl)-2-phenylethanone IUPAC Name: (2S)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]-1-(2-methyl-1H-indol-3-yl)-2-phenylethanone Traditional Name: (2S)-2-[4-(2-furoyl)piperazin-1-ium-1-yl]-1-(2-methyl-1H-indol-3-yl)-2-phenyl-ethanone Formula: C26H26N3O3+ MolecularWeight: 428.50294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)C(C3=CC=CC=C3)[NH+]4CCN(CC4)C(=O)C5=CC=CO5

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)[C@H](C3=CC=CC=C3)[NH+]4CCN(CC4)C(=O)C5=CC=CO5

InChI

InChI=1S/C26H25N3O3/c1-18-23(20-10-5-6-11-21(20)27-18)25(30)24(19-8-3-2-4-9-19)28-13-15-29(16-14-28)26(31)22-12-7-17-32-22/h2-12,17,24,27H,13-16H2,1H3/p+1/t24-/m0/s1